GitHub - Niraj288/side

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 265 Commits
acid_data		acid_data
dynamics		dynamics
.DS_Store		.DS_Store
1ga1.xyz		1ga1.xyz
1k43.cif		1k43.cif
B.npy		B.npy
B_data.py		B_data.py
B_final.npy		B_final.npy
EvsT.py		EvsT.py
addAngle.py		addAngle.py
addBCP.py		addBCP.py
addBifr.py		addBifr.py
addC.py		addC.py
addCR.py		addCR.py
addCharges.py		addCharges.py
addFreq.py		addFreq.py
addHBtype.py		addHBtype.py
addKaTopdb.py		addKaTopdb.py
addLPCont.py		addLPCont.py
addRing.py		addRing.py
atom_data.py		atom_data.py
auto_stretch_charge.py		auto_stretch_charge.py
automation.py		automation.py
automation2.py		automation2.py
backbone_pdb.py		backbone_pdb.py
basis.py		basis.py
change_color.py		change_color.py
cluster.py		cluster.py
com2xyz.py		com2xyz.py
convolution_net.py		convolution_net.py
correlate_ka.py		correlate_ka.py
data.json		data.json
data_ml.py		data_ml.py
dynamics.py		dynamics.py
fchk-bond-strength.py		fchk-bond-strength.py
folding_connections.py		folding_connections.py
force_data.py		force_data.py
grid_annealing.py		grid_annealing.py
grid_search_folding.py		grid_search_folding.py
hb_auto.py		hb_auto.py
hb_connections.py		hb_connections.py
hb_test.py		hb_test.py
hbond_out.py		hbond_out.py
integrals.py		integrals.py
katja_integrals_ml.py		katja_integrals_ml.py
katja_ml.py		katja_ml.py
katja_orbitals_ml.py		katja_orbitals_ml.py
katja_original.py		katja_original.py
lmode_m.py		lmode_m.py
make_lmode_file.py		make_lmode_file.py
make_xl.py		make_xl.py
make_xl_ab.py		make_xl_ab.py
make_xyz_I5.py		make_xyz_I5.py
max_min_mfn.py		max_min_mfn.py
maya_dipole.py		maya_dipole.py
maya_dipole_joint.py		maya_dipole_joint.py
maya_molecule.py		maya_molecule.py
ml_energy.py		ml_energy.py
module.py		module.py
move_atoms.py		move_atoms.py
move_atoms_2.py		move_atoms_2.py
nassem_zmat.py		nassem_zmat.py
orca_file.py		orca_file.py
pdb.py		pdb.py
pdb.pyc		pdb.pyc
pdb1.py		pdb1.py
pdb1.pyc		pdb1.pyc
pdb_analysis_c5.py		pdb_analysis_c5.py
pdb_analysis_c5.pyc		pdb_analysis_c5.pyc
pdb_c.py		pdb_c.py
pdb_c.pyc		pdb_c.pyc
preprocessing.py		preprocessing.py
preprocessing_3d.py		preprocessing_3d.py
preprocessing_bob.py		preprocessing_bob.py
preprocessing_cm.py		preprocessing_cm.py
preprocessing_conv.py		preprocessing_conv.py
preprocessing_orbitals.py		preprocessing_orbitals.py
process_mdout.perl		process_mdout.perl
protein_annealing.py		protein_annealing.py
protein_folding.py		protein_folding.py
protein_folding_modified.py		protein_folding_modified.py
protien_maya.py		protien_maya.py
pymol_coord.py		pymol_coord.py
pymol_selection.py		pymol_selection.py
rings.npy		rings.npy
rmsd.py		rmsd.py
rub_data_ml.py		rub_data_ml.py
show_hb.py		show_hb.py
solve_eqn.py		solve_eqn.py
test.py		test.py
urva_data.py		urva_data.py
urva_ml.py		urva_ml.py
urva_torsion.py		urva_torsion.py
xtb_lmode.py		xtb_lmode.py