scripts and data to run the example modification of the modelling pipeline

a90a9630 · Studer Gabriel · 886477e6 · a90a9630 · a90a9630 · a90a9630
Commit a90a9630 authored 4 years ago by Studer Gabriel
--- a/other/mod_pipeline/data/2x48_C_HHblits.hhm
+++ b/other/mod_pipeline/data/2x48_C_HHblits.hhm
--- a/other/mod_pipeline/data/2x48_C_HHblits.pdb
+++ b/other/mod_pipeline/data/2x48_C_HHblits.pdb
--- a/other/mod_pipeline/data/2x48_C_HHblits_aln.fasta
+++ b/other/mod_pipeline/data/2x48_C_HHblits_aln.fasta
+>target
+ARNPITITPQFDCGATNSQQYVARSGDTLTKIAQEIYHDVVGVCDIARANNLADPNRIDAGTPYTIPINCQTYDRNSCL
+>pdb_id=2x48, chain=A, assembly_id=3, offset=10 atoms
+-------------------RYYVESEDDLVSVAHELAKMGYTVQQIANALGVS--------------------------
--- a/other/mod_pipeline/data/3mx1_A_HHblits.fasta
+++ b/other/mod_pipeline/data/3mx1_A_HHblits.fasta
+>SEQRES
+MASSHHHHHHSSGLVPRGSSMGHNKKFDRSEHVYRNDSFLELIKDAVRFFSGTPVHSLPPPERFQGAGVYALYYTGHYSLYDEYSRINRLAYNLPIYVGKAVPAGWRQSRISDHETRAGSELSNRIREHGRNIAKTSNLDLCDFSCRFVIFEATGSDMISTVQAALIKIYKPLWNTVVDGFGNHTPGAGRFAQAKSDWDVIHPGREWAEKCTGVHSEPYFIEERIKQYFSKSNFT
--- a/other/mod_pipeline/data/3mx1_A_HHblits.hhm
+++ b/other/mod_pipeline/data/3mx1_A_HHblits.hhm
--- a/other/mod_pipeline/data/3mx1_A_HHblits.pdb
+++ b/other/mod_pipeline/data/3mx1_A_HHblits.pdb
--- a/other/mod_pipeline/data/3mx1_A_HHblits_aln.fasta
+++ b/other/mod_pipeline/data/3mx1_A_HHblits_aln.fasta
+>target
+ARNPITITPQFDCGATNSQQYVARSGDTLTKIAQEIYHDVVGVCDIARANNLADPNRIDAGTPYTIPINCQTYDRNSCL
+>pdb_id=3mx1, chain=A, assembly_id=1, offset=75 atoms
+-------------------------------------GHYSLYDEYSRINRLAYNLPIYVGKAV---------------
--- a/other/mod_pipeline/data/3mx4_A_HHblits.fasta
+++ b/other/mod_pipeline/data/3mx4_A_HHblits.fasta
+>SEQRES
+MASSHHHHHHSSGLVPRGSSMGHNKKFDRSEHVYRNDSFLELIKDAVRFFSGTPVHSLPPPERFQGAGVYALYYTGHYSLYDEYSRINRKAYNLPIYVGKAVPAGWRQSRISDHETRAGSELSNRIREHGRNIAKTSNLDLCDFSCRFVIFEATGSDMISTVQAALIKIYKPLWNTVVDGFGNHTPGAGRFAQAKSDWDVIHPGREWAEKCTGVHSEPYFIEERIKQYFSKSNFT
--- a/other/mod_pipeline/data/3mx4_A_HHblits.hhm
+++ b/other/mod_pipeline/data/3mx4_A_HHblits.hhm
--- a/other/mod_pipeline/data/3mx4_A_HHblits.pdb
+++ b/other/mod_pipeline/data/3mx4_A_HHblits.pdb
--- a/other/mod_pipeline/data/3mx4_A_HHblits_aln.fasta
+++ b/other/mod_pipeline/data/3mx4_A_HHblits_aln.fasta
+>target
+ARNPITITPQFDCGATNSQQYVARSGDTLTKIAQEIYHDVVGVCDIARANNLADPNRIDAGTPYTIPINCQTYDRNSCL
+>pdb_id=3mx4, chain=A, assembly_id=1, offset=75 atoms
+-------------------------------------GHYSLYDEYSRINRKAYNLPIYVGKAV---------------
--- a/other/mod_pipeline/data/3mx4_C_HHblits.fasta
+++ b/other/mod_pipeline/data/3mx4_C_HHblits.fasta
+>SEQRES
+MASSHHHHHHSSGLVPRGSSMGHNKKFDRSEHVYRNDSFLELIKDAVRFFSGTPVHSLPPPERFQGAGVYALYYTGHYSLYDEYSRINRKAYNLPIYVGKAVPAGWRQSRISDHETRAGSELSNRIREHGRNIAKTSNLDLCDFSCRFVIFEATGSDMISTVQAALIKIYKPLWNTVVDGFGNHTPGAGRFAQAKSDWDVIHPGREWAEKCTGVHSEPYFIEERIKQYFSKSNFT
--- a/other/mod_pipeline/data/3mx4_C_HHblits.hhm
+++ b/other/mod_pipeline/data/3mx4_C_HHblits.hhm
--- a/other/mod_pipeline/data/3mx4_C_HHblits.pdb
+++ b/other/mod_pipeline/data/3mx4_C_HHblits.pdb
--- a/other/mod_pipeline/data/3mx4_C_HHblits_aln.fasta
+++ b/other/mod_pipeline/data/3mx4_C_HHblits_aln.fasta
+>target
+ARNPITITPQFDCGATNSQQYVARSGDTLTKIAQEIYHDVVGVCDIARANNLADPNRIDAGTPYTIPINCQTYDRNSCL
+>pdb_id=3mx4, chain=A, assembly_id=3, offset=75 atoms
+-------------------------------------GHYSLYDEYSRINRKAYNLPIYVGKAV---------------
--- a/other/mod_pipeline/data/3mx4_D_HHblits.fasta
+++ b/other/mod_pipeline/data/3mx4_D_HHblits.fasta
+>SEQRES
+MASSHHHHHHSSGLVPRGSSMGHNKKFDRSEHVYRNDSFLELIKDAVRFFSGTPVHSLPPPERFQGAGVYALYYTGHYSLYDEYSRINRKAYNLPIYVGKAVPAGWRQSRISDHETRAGSELSNRIREHGRNIAKTSNLDLCDFSCRFVIFEATGSDMISTVQAALIKIYKPLWNTVVDGFGNHTPGAGRFAQAKSDWDVIHPGREWAEKCTGVHSEPYFIEERIKQYFSKSNFT
--- a/other/mod_pipeline/data/3mx4_D_HHblits.hhm
+++ b/other/mod_pipeline/data/3mx4_D_HHblits.hhm
--- a/other/mod_pipeline/data/3mx4_D_HHblits.pdb
+++ b/other/mod_pipeline/data/3mx4_D_HHblits.pdb
--- a/other/mod_pipeline/data/3mx4_D_HHblits_aln.fasta
+++ b/other/mod_pipeline/data/3mx4_D_HHblits_aln.fasta
+>target
+ARNPITITPQFDCGATNSQQYVARSGDTLTKIAQEIYHDVVGVCDIARANNLADPNRIDAGTPYTIPINCQTYDRNSCL
+>pdb_id=3mx4, chain=A, assembly_id=4, offset=75 atoms
+-------------------------------------GHYSLYDEYSRINRKAYNLPIYVGKAV---------------
--- a/other/mod_pipeline/data/3mx4_E_HHblits.fasta
+++ b/other/mod_pipeline/data/3mx4_E_HHblits.fasta
+>SEQRES
+MASSHHHHHHSSGLVPRGSSMGHNKKFDRSEHVYRNDSFLELIKDAVRFFSGTPVHSLPPPERFQGAGVYALYYTGHYSLYDEYSRINRKAYNLPIYVGKAVPAGWRQSRISDHETRAGSELSNRIREHGRNIAKTSNLDLCDFSCRFVIFEATGSDMISTVQAALIKIYKPLWNTVVDGFGNHTPGAGRFAQAKSDWDVIHPGREWAEKCTGVHSEPYFIEERIKQYFSKSNFT