Can anyone help me calculate Cremer & Pople puckering parameters from a PDB or XYZ file using PLATON software, online, or any other simple method?

03 March 2024 1 9K Report

Can anyone help me calculate Cremer & Pople puckering parameters from a PDB or XYZ (or Cif) file using PLATON software, online, or any other simple method? (free downloadable windows supported software for the ring puckering parameter analysis)

Ángel Gutiérrez Rodríguez

I may remind wrong, but PLATON should calculate them (print them in the text file ) for the detected rings when you issue the CALC INTRA instruction.

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