yank - Revision 1182: /proof-of-concept/kinases/simulations/Src-bosutinib/setup/modeller

• ..
• #model_src.py#
• 2OIQ.pdb
• 3LCK.pdb
• 3LCK_fit.pdb
• README
• a403t_bosut_refine_nl5_30-seqres.pdb
• a403t_bosut_refine_nl5_30.modeller.pdb
• a403t_bosut_refine_nl5_30.pdb
• alignment.ali
• alignment.pap
• built.pdb
• closewater.pdb
• generate-seqres.py
• ligand.pdb
• model-missing-residues.sh
• model.py
• modelPDB.py
• modelPDB2.py
• modelPDB2.pyc
• modelPDB3.py
• model_src.py
• modelmissing.py
• non-protein-components.pdb
• output.pdb
• process.pml
• processed.pdb
• processed.png
• protein.pdb
• src-seqres-AB.txt
• src-seqres-B.txt
• src_tbosutinib_c4+d2_refine_waters_tls_38-seqres.pdb
• src_tbosutinib_c4+d2_refine_waters_tls_38-seqres_fit.pdb
• src_tbosutinib_c4+d2_refine_waters_tls_38.modeller.pdb
• src_tbosutinib_c4+d2_refine_waters_tls_38.pdb
• src_tbosutinib_c4+d2_refine_waters_tls_38_fit.pdb
• system.pdb
• target.ini
• target.rsr
• template_fit.pdb
• transferred.pdb
• waters.pdb