diff --git a/code_fragments/dokk/KEYS b/examples/code_fragments/dokk/KEYS similarity index 100% rename from code_fragments/dokk/KEYS rename to examples/code_fragments/dokk/KEYS diff --git a/code_fragments/dokk/config.py b/examples/code_fragments/dokk/config.py similarity index 100% rename from code_fragments/dokk/config.py rename to examples/code_fragments/dokk/config.py diff --git a/code_fragments/dokk/datafiles/dengue/level.ini b/examples/code_fragments/dokk/datafiles/dengue/level.ini similarity index 100% rename from code_fragments/dokk/datafiles/dengue/level.ini rename to examples/code_fragments/dokk/datafiles/dengue/level.ini diff --git a/code_fragments/dokk/datafiles/dengue/levelF.ini b/examples/code_fragments/dokk/datafiles/dengue/levelF.ini similarity index 100% rename from code_fragments/dokk/datafiles/dengue/levelF.ini rename to examples/code_fragments/dokk/datafiles/dengue/levelF.ini diff --git a/code_fragments/dokk/datafiles/dengue/ligand.sdf 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examples/code_fragments/dokk/datafiles/dengue/surface.vert diff --git a/code_fragments/dokk/datafiles/dengue/top_ten.ini b/examples/code_fragments/dokk/datafiles/dengue/top_ten.ini similarity index 100% rename from code_fragments/dokk/datafiles/dengue/top_ten.ini rename to examples/code_fragments/dokk/datafiles/dengue/top_ten.ini diff --git a/code_fragments/dokk/datafiles/glyoxalase/level.ini b/examples/code_fragments/dokk/datafiles/glyoxalase/level.ini similarity index 100% rename from code_fragments/dokk/datafiles/glyoxalase/level.ini rename to examples/code_fragments/dokk/datafiles/glyoxalase/level.ini diff --git a/code_fragments/dokk/datafiles/glyoxalase/levelF.ini b/examples/code_fragments/dokk/datafiles/glyoxalase/levelF.ini similarity index 100% rename from code_fragments/dokk/datafiles/glyoxalase/levelF.ini rename to examples/code_fragments/dokk/datafiles/glyoxalase/levelF.ini diff --git a/code_fragments/dokk/datafiles/glyoxalase/ligand.sdf 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a/code_fragments/dokk/datafiles/retinol/surface.face b/examples/code_fragments/dokk/datafiles/retinol/surface.face similarity index 100% rename from code_fragments/dokk/datafiles/retinol/surface.face rename to examples/code_fragments/dokk/datafiles/retinol/surface.face diff --git a/code_fragments/dokk/datafiles/retinol/surface.vert b/examples/code_fragments/dokk/datafiles/retinol/surface.vert similarity index 100% rename from code_fragments/dokk/datafiles/retinol/surface.vert rename to examples/code_fragments/dokk/datafiles/retinol/surface.vert diff --git a/code_fragments/dokk/datafiles/retinol/top_ten.ini b/examples/code_fragments/dokk/datafiles/retinol/top_ten.ini similarity index 100% rename from code_fragments/dokk/datafiles/retinol/top_ten.ini rename to examples/code_fragments/dokk/datafiles/retinol/top_ten.ini diff --git a/code_fragments/dokk/datafiles/thrombin/level.ini b/examples/code_fragments/dokk/datafiles/thrombin/level.ini similarity index 100% rename from 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a/code_fragments/dokk/datafiles/thrombin/surface.face b/examples/code_fragments/dokk/datafiles/thrombin/surface.face similarity index 100% rename from code_fragments/dokk/datafiles/thrombin/surface.face rename to examples/code_fragments/dokk/datafiles/thrombin/surface.face diff --git a/code_fragments/dokk/datafiles/thrombin/surface.vert b/examples/code_fragments/dokk/datafiles/thrombin/surface.vert similarity index 100% rename from code_fragments/dokk/datafiles/thrombin/surface.vert rename to examples/code_fragments/dokk/datafiles/thrombin/surface.vert diff --git a/code_fragments/dokk/datafiles/thrombin/top_ten.ini b/examples/code_fragments/dokk/datafiles/thrombin/top_ten.ini similarity index 100% rename from code_fragments/dokk/datafiles/thrombin/top_ten.ini rename to examples/code_fragments/dokk/datafiles/thrombin/top_ten.ini diff --git a/code_fragments/dokk/datafiles/tutorial_1/level.ini b/examples/code_fragments/dokk/datafiles/tutorial_1/level.ini similarity index 100% rename from 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a/code_fragments/dokk/datafiles/tutorial_1/surface.face b/examples/code_fragments/dokk/datafiles/tutorial_1/surface.face similarity index 100% rename from code_fragments/dokk/datafiles/tutorial_1/surface.face rename to examples/code_fragments/dokk/datafiles/tutorial_1/surface.face diff --git a/code_fragments/dokk/datafiles/tutorial_1/surface.vert b/examples/code_fragments/dokk/datafiles/tutorial_1/surface.vert similarity index 100% rename from code_fragments/dokk/datafiles/tutorial_1/surface.vert rename to examples/code_fragments/dokk/datafiles/tutorial_1/surface.vert diff --git a/code_fragments/dokk/datafiles/tutorial_1/top_ten.ini b/examples/code_fragments/dokk/datafiles/tutorial_1/top_ten.ini similarity index 100% rename from code_fragments/dokk/datafiles/tutorial_1/top_ten.ini rename to examples/code_fragments/dokk/datafiles/tutorial_1/top_ten.ini diff --git a/code_fragments/dokk/datafiles/tutorial_2/level.ini b/examples/code_fragments/dokk/datafiles/tutorial_2/level.ini similarity 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examples/code_fragments/dokk/datafiles/tutorial_2/protein.pdb diff --git a/code_fragments/dokk/datafiles/tutorial_2/surface.face b/examples/code_fragments/dokk/datafiles/tutorial_2/surface.face similarity index 100% rename from code_fragments/dokk/datafiles/tutorial_2/surface.face rename to examples/code_fragments/dokk/datafiles/tutorial_2/surface.face diff --git a/code_fragments/dokk/datafiles/tutorial_2/surface.vert b/examples/code_fragments/dokk/datafiles/tutorial_2/surface.vert similarity index 100% rename from code_fragments/dokk/datafiles/tutorial_2/surface.vert rename to examples/code_fragments/dokk/datafiles/tutorial_2/surface.vert diff --git a/code_fragments/dokk/datafiles/tutorial_2/top_ten.ini b/examples/code_fragments/dokk/datafiles/tutorial_2/top_ten.ini similarity index 100% rename from code_fragments/dokk/datafiles/tutorial_2/top_ten.ini rename to examples/code_fragments/dokk/datafiles/tutorial_2/top_ten.ini diff --git a/code_fragments/dokk/dokk b/examples/code_fragments/dokk/dokk similarity index 100% rename from code_fragments/dokk/dokk rename to examples/code_fragments/dokk/dokk diff --git a/code_fragments/dokk/dokk.py b/examples/code_fragments/dokk/dokk.py similarity index 100% rename from code_fragments/dokk/dokk.py rename to examples/code_fragments/dokk/dokk.py diff --git a/code_fragments/dokk/glwin.py b/examples/code_fragments/dokk/glwin.py similarity index 100% rename from code_fragments/dokk/glwin.py rename to examples/code_fragments/dokk/glwin.py diff --git a/code_fragments/dokk/hud.py b/examples/code_fragments/dokk/hud.py similarity index 100% rename from code_fragments/dokk/hud.py rename to examples/code_fragments/dokk/hud.py diff --git a/code_fragments/dokk/images/openstructure.png b/examples/code_fragments/dokk/images/openstructure.png similarity index 100% rename from code_fragments/dokk/images/openstructure.png rename to examples/code_fragments/dokk/images/openstructure.png diff --git a/code_fragments/dokk/images/rotation.png b/examples/code_fragments/dokk/images/rotation.png similarity index 100% rename from code_fragments/dokk/images/rotation.png rename to examples/code_fragments/dokk/images/rotation.png diff --git a/code_fragments/dokk/images/translation.png b/examples/code_fragments/dokk/images/translation.png similarity index 100% rename from code_fragments/dokk/images/translation.png rename to examples/code_fragments/dokk/images/translation.png diff --git a/code_fragments/dokk/level.py b/examples/code_fragments/dokk/level.py similarity index 100% rename from code_fragments/dokk/level.py rename to examples/code_fragments/dokk/level.py diff --git a/code_fragments/dokk/level_info.py b/examples/code_fragments/dokk/level_info.py similarity index 100% rename from code_fragments/dokk/level_info.py rename to examples/code_fragments/dokk/level_info.py diff --git a/code_fragments/dokk/level_intro.py b/examples/code_fragments/dokk/level_intro.py similarity index 100% rename from code_fragments/dokk/level_intro.py rename to examples/code_fragments/dokk/level_intro.py diff --git a/code_fragments/dokk/level_messages.py b/examples/code_fragments/dokk/level_messages.py similarity index 100% rename from code_fragments/dokk/level_messages.py rename to examples/code_fragments/dokk/level_messages.py diff --git a/code_fragments/dokk/ligand.py b/examples/code_fragments/dokk/ligand.py similarity index 100% rename from code_fragments/dokk/ligand.py rename to examples/code_fragments/dokk/ligand.py diff --git a/code_fragments/dokk/name_enter.py b/examples/code_fragments/dokk/name_enter.py similarity index 100% rename from code_fragments/dokk/name_enter.py rename to examples/code_fragments/dokk/name_enter.py diff --git a/code_fragments/dokk/protein.py b/examples/code_fragments/dokk/protein.py similarity index 100% rename from code_fragments/dokk/protein.py rename to examples/code_fragments/dokk/protein.py diff --git a/code_fragments/dokk/score_updater.py b/examples/code_fragments/dokk/score_updater.py similarity index 100% rename from code_fragments/dokk/score_updater.py rename to examples/code_fragments/dokk/score_updater.py diff --git a/code_fragments/dokk/spacenav_connect.py b/examples/code_fragments/dokk/spacenav_connect.py similarity index 100% rename from code_fragments/dokk/spacenav_connect.py rename to examples/code_fragments/dokk/spacenav_connect.py diff --git a/code_fragments/dokk/spnav_input.py b/examples/code_fragments/dokk/spnav_input.py similarity index 100% rename from code_fragments/dokk/spnav_input.py rename to examples/code_fragments/dokk/spnav_input.py diff --git a/code_fragments/dokk/start_dokk.py b/examples/code_fragments/dokk/start_dokk.py similarity index 100% rename from code_fragments/dokk/start_dokk.py rename to examples/code_fragments/dokk/start_dokk.py diff --git a/code_fragments/dokk/surface.py b/examples/code_fragments/dokk/surface.py similarity index 100% rename from code_fragments/dokk/surface.py rename to examples/code_fragments/dokk/surface.py diff --git a/code_fragments/entity/color_by_property.py b/examples/code_fragments/entity/color_by_property.py similarity index 100% rename from code_fragments/entity/color_by_property.py rename to examples/code_fragments/entity/color_by_property.py diff --git a/code_fragments/entity/fragment.pdb b/examples/code_fragments/entity/fragment.pdb similarity index 100% rename from code_fragments/entity/fragment.pdb rename to examples/code_fragments/entity/fragment.pdb diff --git a/code_fragments/entity/fragment2.pdb b/examples/code_fragments/entity/fragment2.pdb similarity index 100% rename from code_fragments/entity/fragment2.pdb rename to examples/code_fragments/entity/fragment2.pdb diff --git a/code_fragments/entity/gfx_selection.py b/examples/code_fragments/entity/gfx_selection.py similarity index 100% rename from code_fragments/entity/gfx_selection.py rename to examples/code_fragments/entity/gfx_selection.py diff --git a/code_fragments/entity/gfx_symmetry.py b/examples/code_fragments/entity/gfx_symmetry.py similarity index 91% rename from code_fragments/entity/gfx_symmetry.py rename to examples/code_fragments/entity/gfx_symmetry.py index bfef9fb1b8ba5511e32e970fdd244e572b86aa7e..a0d795ece75923058688a6a3ebabc2c9a3f8012e 100644 --- a/code_fragments/entity/gfx_symmetry.py +++ b/examples/code_fragments/entity/gfx_symmetry.py @@ -8,7 +8,7 @@ ent=io.LoadEntity(filename) edi=ent.RequestXCSEditor() m=geom.Mat4() -m.PasteTranslation(-ent.bounds.min) +m.PasteTranslation(-ent.GetGeometricStart()) edi.ApplyTransform(m) edi.UpdateICS() frag=gfx.Entity('frag', ent) diff --git a/code_fragments/entity/gradient.py b/examples/code_fragments/entity/gradient.py similarity index 100% rename from code_fragments/entity/gradient.py rename to examples/code_fragments/entity/gradient.py diff --git a/code_fragments/entity/pdb1ake.ent b/examples/code_fragments/entity/pdb1ake.ent similarity index 100% rename from code_fragments/entity/pdb1ake.ent rename to examples/code_fragments/entity/pdb1ake.ent diff --git a/code_fragments/entity/pdb4ake.ent b/examples/code_fragments/entity/pdb4ake.ent similarity index 100% rename from code_fragments/entity/pdb4ake.ent rename to examples/code_fragments/entity/pdb4ake.ent diff --git a/code_fragments/entity/primitives.py b/examples/code_fragments/entity/primitives.py similarity index 100% rename from code_fragments/entity/primitives.py rename to examples/code_fragments/entity/primitives.py diff --git a/code_fragments/entity/random_lines.py b/examples/code_fragments/entity/random_lines.py similarity index 100% rename from code_fragments/entity/random_lines.py rename to examples/code_fragments/entity/random_lines.py diff --git a/code_fragments/entity/sdh.pdb b/examples/code_fragments/entity/sdh.pdb similarity index 100% rename from code_fragments/entity/sdh.pdb rename to examples/code_fragments/entity/sdh.pdb diff --git a/code_fragments/entity/superpose.py b/examples/code_fragments/entity/superpose.py similarity index 100% rename from code_fragments/entity/superpose.py rename to examples/code_fragments/entity/superpose.py diff --git a/code_fragments/harmony/glwin.py b/examples/code_fragments/harmony/glwin.py similarity index 100% rename from code_fragments/harmony/glwin.py rename to examples/code_fragments/harmony/glwin.py diff --git a/code_fragments/harmony/harmony b/examples/code_fragments/harmony/harmony similarity index 100% rename from code_fragments/harmony/harmony rename to examples/code_fragments/harmony/harmony diff --git a/code_fragments/harmony/harmony.py b/examples/code_fragments/harmony/harmony.py similarity index 100% rename from code_fragments/harmony/harmony.py rename to examples/code_fragments/harmony/harmony.py diff --git a/code_fragments/img/circle.png b/examples/code_fragments/img/circle.png similarity index 100% rename from code_fragments/img/circle.png rename to examples/code_fragments/img/circle.png diff --git a/code_fragments/img/create_split_image.py b/examples/code_fragments/img/create_split_image.py similarity index 100% rename from code_fragments/img/create_split_image.py rename to examples/code_fragments/img/create_split_image.py diff --git a/code_fragments/img/fft_li.py b/examples/code_fragments/img/fft_li.py similarity index 100% rename from code_fragments/img/fft_li.py rename to examples/code_fragments/img/fft_li.py diff --git a/code_fragments/img/modulate_image.py b/examples/code_fragments/img/modulate_image.py similarity index 100% rename from code_fragments/img/modulate_image.py rename to examples/code_fragments/img/modulate_image.py diff --git a/code_fragments/img/spoke_pattern.py b/examples/code_fragments/img/spoke_pattern.py similarity index 100% rename from code_fragments/img/spoke_pattern.py rename to examples/code_fragments/img/spoke_pattern.py diff --git a/code_fragments/img/square.png b/examples/code_fragments/img/square.png similarity index 100% rename from code_fragments/img/square.png rename to examples/code_fragments/img/square.png diff --git a/code_fragments/img/tone1.png b/examples/code_fragments/img/tone1.png similarity index 100% rename from code_fragments/img/tone1.png rename to examples/code_fragments/img/tone1.png diff --git a/code_fragments/img/tone2.png b/examples/code_fragments/img/tone2.png similarity index 100% rename from code_fragments/img/tone2.png rename to examples/code_fragments/img/tone2.png diff --git a/code_fragments/img/tone3.png b/examples/code_fragments/img/tone3.png similarity index 100% rename from code_fragments/img/tone3.png rename to examples/code_fragments/img/tone3.png diff --git a/code_fragments/img/tone4.png b/examples/code_fragments/img/tone4.png similarity index 100% rename from code_fragments/img/tone4.png rename to examples/code_fragments/img/tone4.png diff --git a/code_fragments/img/tone5.png b/examples/code_fragments/img/tone5.png similarity index 100% rename from code_fragments/img/tone5.png rename to examples/code_fragments/img/tone5.png diff --git a/code_fragments/img/view_phase_diff.py b/examples/code_fragments/img/view_phase_diff.py similarity index 100% rename from code_fragments/img/view_phase_diff.py rename to examples/code_fragments/img/view_phase_diff.py diff --git a/code_fragments/map/1ppt.map b/examples/code_fragments/map/1ppt.map similarity index 100% rename from code_fragments/map/1ppt.map rename to examples/code_fragments/map/1ppt.map diff --git a/code_fragments/map/1ppt.pdb b/examples/code_fragments/map/1ppt.pdb similarity index 100% rename from code_fragments/map/1ppt.pdb rename to examples/code_fragments/map/1ppt.pdb diff --git a/code_fragments/map/gfx_mapiso.py b/examples/code_fragments/map/gfx_mapiso.py similarity index 100% rename from code_fragments/map/gfx_mapiso.py rename to examples/code_fragments/map/gfx_mapiso.py diff --git a/code_fragments/misc/bitmap_export.py b/examples/code_fragments/misc/bitmap_export.py similarity index 100% rename from code_fragments/misc/bitmap_export.py rename to examples/code_fragments/misc/bitmap_export.py diff --git a/code_fragments/misc/export_pov.py b/examples/code_fragments/misc/export_pov.py similarity index 100% rename from code_fragments/misc/export_pov.py rename to examples/code_fragments/misc/export_pov.py diff --git a/code_fragments/misc/fragment.face b/examples/code_fragments/misc/fragment.face similarity index 100% rename from code_fragments/misc/fragment.face rename to examples/code_fragments/misc/fragment.face diff --git a/code_fragments/misc/fragment.pdb b/examples/code_fragments/misc/fragment.pdb similarity index 100% rename from code_fragments/misc/fragment.pdb rename to examples/code_fragments/misc/fragment.pdb diff --git a/code_fragments/misc/fragment.vert b/examples/code_fragments/misc/fragment.vert similarity index 100% rename from code_fragments/misc/fragment.vert rename to examples/code_fragments/misc/fragment.vert diff --git a/code_fragments/modelling/roll_helix.py b/examples/code_fragments/modelling/roll_helix.py similarity index 100% rename from code_fragments/modelling/roll_helix.py rename to examples/code_fragments/modelling/roll_helix.py diff --git a/code_fragments/modelling/sdh.pdb b/examples/code_fragments/modelling/sdh.pdb similarity index 100% rename from code_fragments/modelling/sdh.pdb rename to examples/code_fragments/modelling/sdh.pdb diff --git a/code_fragments/modelling/strip_sidechains.py b/examples/code_fragments/modelling/strip_sidechains.py similarity index 100% rename from code_fragments/modelling/strip_sidechains.py rename to examples/code_fragments/modelling/strip_sidechains.py diff --git a/code_fragments/seq/seq_viewer.py b/examples/code_fragments/seq/seq_viewer.py similarity index 100% rename from code_fragments/seq/seq_viewer.py rename to examples/code_fragments/seq/seq_viewer.py diff --git a/code_fragments/surf/fragment.pdb b/examples/code_fragments/surf/fragment.pdb similarity index 100% rename from code_fragments/surf/fragment.pdb rename to examples/code_fragments/surf/fragment.pdb diff --git a/code_fragments/surf/sdh.face b/examples/code_fragments/surf/sdh.face similarity index 100% rename from code_fragments/surf/sdh.face rename to examples/code_fragments/surf/sdh.face diff --git a/code_fragments/surf/sdh.pdb b/examples/code_fragments/surf/sdh.pdb similarity index 100% rename from code_fragments/surf/sdh.pdb rename to examples/code_fragments/surf/sdh.pdb diff --git a/code_fragments/surf/sdh.vert b/examples/code_fragments/surf/sdh.vert similarity index 100% rename from code_fragments/surf/sdh.vert rename to examples/code_fragments/surf/sdh.vert diff --git a/code_fragments/surf/test_surf.py b/examples/code_fragments/surf/test_surf.py similarity index 100% rename from code_fragments/surf/test_surf.py rename to examples/code_fragments/surf/test_surf.py diff --git a/code_fragments/surf/test_surf_pov.py b/examples/code_fragments/surf/test_surf_pov.py similarity index 100% rename from code_fragments/surf/test_surf_pov.py rename to examples/code_fragments/surf/test_surf_pov.py diff --git a/code_fragments/trj/fragment.pdb b/examples/code_fragments/trj/fragment.pdb similarity index 100% rename from code_fragments/trj/fragment.pdb rename to examples/code_fragments/trj/fragment.pdb diff --git a/code_fragments/trj/mpor_trj.crd b/examples/code_fragments/trj/mpor_trj.crd similarity index 100% rename from code_fragments/trj/mpor_trj.crd rename to examples/code_fragments/trj/mpor_trj.crd diff --git a/code_fragments/trj/mpor_trj_short.trj b/examples/code_fragments/trj/mpor_trj_short.trj similarity index 100% rename from code_fragments/trj/mpor_trj_short.trj rename to examples/code_fragments/trj/mpor_trj_short.trj diff --git a/code_fragments/trj/test_trj.py b/examples/code_fragments/trj/test_trj.py similarity index 100% rename from code_fragments/trj/test_trj.py rename to examples/code_fragments/trj/test_trj.py diff --git a/code_fragments/ui/board.py b/examples/code_fragments/ui/board.py similarity index 100% rename from code_fragments/ui/board.py rename to examples/code_fragments/ui/board.py diff --git a/code_fragments/ui/color_tool.py b/examples/code_fragments/ui/color_tool.py similarity index 100% rename from code_fragments/ui/color_tool.py rename to examples/code_fragments/ui/color_tool.py diff --git a/code_fragments/ui/mdi_example.py b/examples/code_fragments/ui/mdi_example.py similarity index 100% rename from code_fragments/ui/mdi_example.py rename to examples/code_fragments/ui/mdi_example.py diff --git a/code_fragments/ui/menubar_example.py b/examples/code_fragments/ui/menubar_example.py similarity index 100% rename from code_fragments/ui/menubar_example.py rename to examples/code_fragments/ui/menubar_example.py diff --git a/code_fragments/ui/widget_example.py b/examples/code_fragments/ui/widget_example.py similarity index 100% rename from code_fragments/ui/widget_example.py rename to examples/code_fragments/ui/widget_example.py diff --git a/demos/bbox.py b/examples/demos/bbox.py similarity index 78% rename from demos/bbox.py rename to examples/demos/bbox.py index 242ba49b1b5b5bb6092728ef6a59a42154e6ad1f..ea49aef60e1f08355daa9afc111df029c661b0dc 100644 --- a/demos/bbox.py +++ b/examples/demos/bbox.py @@ -1,4 +1,4 @@ -sdh=io.LoadPDB('sdh.pdb') +sdh=io.LoadPDB('data/sdh.pdb') helix=sdh.Select('rnum=99:128 and cname=A and aname=CA,C,N,O') go=gfx.Entity('helix', gfx.SIMPLE, helix) scene.Add(go) @@ -10,6 +10,8 @@ def RenderBBox(bbox): bb.SetFillColor(gfx.Color(0.5, 0.8, 0.5, 0.2)) scene.Add(bb) +print 'Center:',(helix.GetGeometricStart()+helix.GetGeometricEnd())*.5 + RenderBBox(bbox) scene.center=go.center print 'Demo2: Translucent bounding box around an OpenStructure entity' diff --git a/demos/conservation.py b/examples/demos/conservation.py similarity index 93% rename from demos/conservation.py rename to examples/demos/conservation.py index 8399ef05bf7560dd9a0b6e079fb7712008a15ad9..fa1e2a6cbfeed1fe584d8f6db60f1846ce85bcec 100644 --- a/demos/conservation.py +++ b/examples/demos/conservation.py @@ -2,9 +2,9 @@ from ost.seq import alg #------------------------------------------------------------------------------- # Loading structure and alignment #------------------------------------------------------------------------------- -m=io.LoadPDB('sh2.pdb') +m=io.LoadPDB('data/sh2.pdb') mp=m.Select('ishetatm=false') -aln=io.LoadAlignment('sh2.aln') +aln=io.LoadAlignment('data/sh2.aln') aln.AttachView(0, mp) #------------------------------------------------------------------------------- # Calculate conservation of alignment @@ -16,7 +16,7 @@ alg.Conservation(aln) # Setup Graphical Objects for Rendering #------------------------------------------------------------------------------- g=gfx.Entity('SH2', m) -s=io.LoadSurface('sh2.vert') +s=io.LoadSurface('data/sh2.vert') gs=gfx.Surface('SH2-surf', s) scene.Add(gs) scene.Add(g) diff --git a/demos/gfx_mapslab.py b/examples/demos/gfx_mapslab.py similarity index 100% rename from demos/gfx_mapslab.py rename to examples/demos/gfx_mapslab.py diff --git a/demos/load_and_display.py b/examples/demos/load_and_display.py similarity index 91% rename from demos/load_and_display.py rename to examples/demos/load_and_display.py index 382197ea7822ee2506125236722f7a0569bbb423..94ec016e2084f70043efb2db06364191fde1068b 100644 --- a/demos/load_and_display.py +++ b/examples/demos/load_and_display.py @@ -1,5 +1,5 @@ # Load chain A of SDH -ent=io.LoadPDB('sdh.pdb', restrict_chains='A') +ent=io.LoadPDB('data/sdh.pdb', restrict_chains='A') # create graphics object go=gfx.Entity('SDH', ent) diff --git a/demos/rendermodes.py b/examples/demos/rendermodes.py similarity index 98% rename from demos/rendermodes.py rename to examples/demos/rendermodes.py index b45cd500cfde0531f35754b90486ba413fb3c233..0c5077b01b2c35ffecac109a4f41e14b8a47e149 100644 --- a/demos/rendermodes.py +++ b/examples/demos/rendermodes.py @@ -1,5 +1,5 @@ # load pdb file -eh=io.LoadEntity("sdh.pdb") +eh=io.LoadEntity("data/sdh.pdb") sdh_go=gfx.Entity("SDH2", eh.Select("cname=A")) diff --git a/demos/sample.dcd b/examples/demos/sample.dcd similarity index 100% rename from demos/sample.dcd rename to examples/demos/sample.dcd diff --git a/demos/sample.pdb b/examples/demos/sample.pdb similarity index 100% rename from demos/sample.pdb rename to examples/demos/sample.pdb diff --git a/demos/sdh.pdb b/examples/demos/sdh.pdb similarity index 100% rename from demos/sdh.pdb rename to examples/demos/sdh.pdb diff --git a/demos/sh2.aln b/examples/demos/sh2.aln similarity index 100% rename from demos/sh2.aln rename to examples/demos/sh2.aln diff --git a/demos/sh2.face b/examples/demos/sh2.face similarity index 100% rename from demos/sh2.face rename to examples/demos/sh2.face diff --git a/demos/sh2.pdb b/examples/demos/sh2.pdb similarity index 100% rename from demos/sh2.pdb rename to examples/demos/sh2.pdb diff --git a/demos/sh2.vert b/examples/demos/sh2.vert similarity index 100% rename from demos/sh2.vert rename to examples/demos/sh2.vert diff --git a/demos/test_trj_blur.py b/examples/demos/test_trj_blur.py similarity index 93% rename from demos/test_trj_blur.py rename to examples/demos/test_trj_blur.py index eedba6bb32e05392775aca4ada5a6459316ba500..4619374a7e25b03d2c923df758b7996fd8cac8a7 100644 --- a/demos/test_trj_blur.py +++ b/examples/demos/test_trj_blur.py @@ -18,7 +18,7 @@ class Anim(QtCore.QTimer): self.cg_.CopyFrame(self.frame_) go.UpdatePositions() -cg = io.LoadCHARMMTraj("sample.pdb","sample.dcd") +cg = io.LoadCHARMMTraj("data/sample.pdb","data/sample.dcd") eh=cg.GetEntity() ev=eh.Select("not ele=H") go=gfx.Entity("mol",gfx.SIMPLE, ev) @@ -29,5 +29,6 @@ scene.SetCenter(go.GetCenter()) scene.AutoAutoslab(True) anim=Anim(cg,go) + print 'Demo 6: Import of a CHARMM trajectory. Type anim.stop() to halt animation, anim.start(100) to start it again with stepsize 100!Starting animation now....' anim.start(50) diff --git a/demos/the_hammer.py b/examples/demos/the_hammer.py similarity index 100% rename from demos/the_hammer.py rename to examples/demos/the_hammer.py