Thanks Martin for writing about gemmi. It also has a command-line program: gemmi convert input.pdb input.cif
https://gemmi.readthedocs.io/en/latest/utils.html#convert On Fri, Feb 23, 2024 at 12:44 PM Martin Malý <martin.maly...@email.cz> wrote: > > Dear Harry, > > You can try to read your PDB file and save it as mmCIF using gemmi: > https://gemmi.readthedocs.io/en/latest/mol.html#reading > https://gemmi.readthedocs.io/en/latest/mol.html#id3 > > Best wishes, > Martin ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
