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schwede
openstructure
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dc0a1cb6
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dc0a1cb6
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1 month ago
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Xavier Robin
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doc: use -i is recommended
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@@ -344,13 +344,13 @@ One thing is missing for a fully functional OpenStructure installation.
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@@ -344,13 +344,13 @@ One thing is missing for a fully functional OpenStructure installation.
The compound library. It is used at various places for connectivity
The compound library. It is used at various places for connectivity
information and certain algorithms do not work without.
information and certain algorithms do not work without.
Besides an OpenStructure executable, we just built the
Besides an OpenStructure executable, we just built the
chemdict_tool which converts the PDB chemical component dictionary
:ref:`
chemdict_tool
<mmcif-convert>`
which converts the PDB chemical component dictionary
into our internal format:
into our internal format:
.. code-block:: bash
.. code-block:: bash
wget https://files.wwpdb.org/pub/pdb/data/monomers/components.cif.gz
wget https://files.wwpdb.org/pub/pdb/data/monomers/components.cif.gz
stage/bin/chemdict_tool create components.cif.gz compounds.chemlib
stage/bin/chemdict_tool create components.cif.gz compounds.chemlib
-i
We can rerun cmake and make. All cmake parameters from the original
We can rerun cmake and make. All cmake parameters from the original
configuration remain in the cache.
configuration remain in the cache.
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