General - Uploaded Scripts

CCDC Checked Script Thread Script Author Creation Date
 CCOM_CCDC_py37_1_03.py Representaion of conformational codes on a molecular model within Mercury August 25 2020
 welcome-and-weight.py Molecular formula and weight [CCDC Staff] July 04 2018
 crystal_inputs.py Script to write crystal14 input files from list of refcodes September 19 2015
 graph_set_generator.py Hbond Graph set analysis December 06 2019
 pubchem_info.py Script to obtain PubChem information for a CSD entry July 06 2015
 send_mol2_to_notepad+.py Script to send a Mol2 (or CIF) file to an external application Anonymous July 07 2015
 cif_cat.py Script to Combine CIF files Anonymous July 28 2015
 cpstar.py empty result for what seem a reasonable query November 06 2017
 conquest_search_refcode_filtering.py Script to run many substructure searches & collate results [CCDC Staff] July 06 2015
 diagram_to_file.py Script to generate diagrams for all molecules in a structure file [CCDC Staff] July 07 2015
 mol2_to_cif.py converting a directory of mol2 files to cif files [CCDC Staff] September 17 2015

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