Contents:
Fld
Fld.copy_dir()
Fld.create()
Fld.file_to_dir()
Fld.fxd_name()
Fld.seek_files()
Cnv
Cnv.file_in_out()
Fmt
Fmt.format_print()
Fmt.mol_print()
Fmt.pdb_print()
Fmt.xyz_print()
Htp
Htp.ending
Htp.xtb_path
Htp.xyz_geom
Htp.init_dir
Htp.num_cores
Htp.threshold
Htp.htp_xtb_ff()
Htp.htp_xtb_gfn()
Htp.xtb_ff()
Htp.xtb_gfn()
Opt
Opt.pyscf_semi()
Pyscf_print
Pyscf_print.xyz()
Lp
Lp.atom
Lp.linear_polymer()
Lp.max_dist_mol()
Lp.mol
Lp.n_copies
Lp.proto_polymer()
Lp.shift
Lp.x_shift()
Mcon
Mcon.conformer()
Mcon.mol
Mcon.num_conf
Emb
Emb.etkdgv3()
Sm
Sm.atom
Sm.constructor()
Sm.mol_1
Sm.mol_2
Sm.mon_to_poly()
Sm.monomer()
atom_neigh()
count_plholder()
create_pol()
get_file_extension()
pattern_mol_seq()
pattern_recon()
pattern_repl()
tuple_bonds()
check_bond_order()
ff_ob_relaxation()
rotor_opt()
MMFF_rel()
UFF_rel()
etkdgv3_energies()
no_swap()
plc_holder()
remove_plcholder()
swap_hyd()
Bd
Bd.arm
Bd.atom
Bd.branched_polymer()
Bd.core
Bd.merge_arms()
Db
Db.atom
Db.diblock_copolymer()
Db.ma
Db.mb
Pt
Pt.atom
Pt.mols
Pt.pattern
Pt.pattern_block_poly()
Rnp
Rnp.atom
Rnp.ma
Rnp.mb
Rnp.random_ab_copolymer()
Rnp.random_abc_copolymer()
Rn
Rn.atom
Rn.check_proto()
Rn.create_ring()
Rn.mol
Rn.pol_ring()
Torsional
Torsional.draw_molecule()
Torsional.list_dhdl_atoms()
Torsional.mol_graph()
Torsional.mol_graph_neigh()
Torsional.plot_trs_ang()
Torsional.seek_angles()
Torsional.show_atom_number()
Torsional.validate_mol()