schrodinger.application.desmond.packages.viparr1.viparr.viparr_plugins_util module

schrodinger.application.desmond.packages.viparr1.viparr.viparr_plugins_util.read_table(dir, pattern)

schrodinger.application.desmond.packages.viparr1.viparr.viparr_plugins_util.parse_json(f)

Read a JSON file f and return the parsed object. Note: Comments are allowed in this JSON file, but only simple parsing is done. That is, anything between a # and the end of line is considered a comment. This code is not smart enough to understand quoted or escaped #. Note that comments are not allowed in the JSON format.

schrodinger.application.desmond.packages.viparr1.viparr.viparr_plugins_util.assign_setup(param_list, nk, allowMultiTerm=False)

schrodinger.application.desmond.packages.viparr1.viparr.viparr_plugins_util.assign_bonded_params(param_list, atom_list, term_list, not_found, btype=0, allowMultiTerm=False)

Return list with parameters assigned for each force field term. For example: out_stretch_list = assign_bonded_params(stretch, atom_list, bond_list)

schrodinger.application.desmond.packages.viparr1.viparr.viparr_plugins_util.assign(match_me, param_dict, param_regex)

match_me = list to be matched

schrodinger.application.desmond.packages.viparr1.viparr.viparr_plugins_util.assign_phased(match_me, param_dict, param_regex)

match_me = list to be matched