Vina

molecular docking with autodock vina, unfinished all files were written by Yizhou Yu, unless referenced.

Name		Name	Last commit message	Last commit date
Latest commit History 8 Commits
PymolPlugin.py		PymolPlugin.py
README.md		README.md
ab_initio.sh		ab_initio.sh
addcharges.py		addcharges.py
colorbyrmsd.py		colorbyrmsd.py
extractPDB.py		extractPDB.py
flex_res_CA.py		flex_res_CA.py
gaba_286_config.py		gaba_286_config.py
hpc_gaba-flex-input-M286.sh		hpc_gaba-flex-input-M286.sh
hpc_gaba-generic.sh		hpc_gaba-generic.sh
ligand_site.py		ligand_site.py
pc_gaba-flex-input-M286.sh		pc_gaba-flex-input-M286.sh
pc_gaba-propofol-pipeline.sh		pc_gaba-propofol-pipeline.sh
pdb_extract_chains.py		pdb_extract_chains.py
pdbqt_to_pdb.py		pdbqt_to_pdb.py
prep_config.py		prep_config.py
prep_flexres.py		prep_flexres.py
prep_prepare_flexreceptor4.py		prep_prepare_flexreceptor4.py
prepare_dpf4.py		prepare_dpf4.py
prepare_flexreceptor4.py		prepare_flexreceptor4.py
prepare_gpf.py		prepare_gpf.py
prepare_gpf4.py		prepare_gpf4.py
prepare_ligand4.py		prepare_ligand4.py
prepare_receptor4.py		prepare_receptor4.py
pymol_res.py		pymol_res.py
replace_flex_analysis.sh		replace_flex_analysis.sh
res_site_atoms.py		res_site_atoms.py
show_contacts.py		show_contacts.py
vina-flex-output-analysis.sh		vina-flex-output-analysis.sh
vina-pipeline.sh		vina-pipeline.sh
vina-rigid.sh		vina-rigid.sh
vina_config.py		vina_config.py

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