jbardhan / molman Public

molecule manipulation tools for studying solvation electrostatics

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Name		Name	Last commit message	Last commit date
Latest commit History 49 Commits
mymm		mymm
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
add_mode_to_pdb.py		add_mode_to_pdb.py
easy_pdb_mead_pqr.py		easy_pdb_mead_pqr.py
isolateTitratableResidues.py		isolateTitratableResidues.py
makeSphere.py		makeSphere.py
make_mead_sites_file.py		make_mead_sites_file.py
mobley_to_pqr.py		mobley_to_pqr.py
mutate_pdb.py		mutate_pdb.py
pdb_psf_radii_to_pqr.py		pdb_psf_radii_to_pqr.py
pdb_to_mead_pqr.py		pdb_to_mead_pqr.py
postprocess_apbs_for_hybrid.py		postprocess_apbs_for_hybrid.py
pqr_bem.py		pqr_bem.py
pqr_to_delphi.py		pqr_to_delphi.py
pqr_to_matrix.py		pqr_to_matrix.py
pqr_to_pdb.py		pqr_to_pdb.py
pqr_to_xyzr.py		pqr_to_xyzr.py
prepare_all_apbs.py		prepare_all_apbs.py
prepare_exhaustive_apbs.py		prepare_exhaustive_apbs.py
process_ICE_runfile.py		process_ICE_runfile.py
psfnetcharge.py		psfnetcharge.py
run_all_apbs.py		run_all_apbs.py
setupFEP.py		setupFEP.py
setup_pka_data_calcs.py		setup_pka_data_calcs.py
simple_pqr_bem.py		simple_pqr_bem.py
sites_pqr_to_q_vecs.py		sites_pqr_to_q_vecs.py
srf_to_dots.py		srf_to_dots.py
summarizeFEP.py		summarizeFEP.py
test_apbs.py		test_apbs.py
test_titratable.py		test_titratable.py
test_writing_apbs_and_hybrid.py		test_writing_apbs_and_hybrid.py
test_writing_apbs_subdirs.py		test_writing_apbs_subdirs.py
test_writing_subdirs.py		test_writing_subdirs.py