Hi Frank, in line with Paul's comment, what is so apparent about openbabel not doing the job? I use it frequently to generate the input from PDB to the Grade-Server.
Cheers, Tim On Fri, 19 May 2023 10:28:32 +0100 Frank von Delft <[email protected]> wrote: > OpenBabel apparently does not. -- -- Tim Gruene Head of the Centre for X-ray Structure Analysis Faculty of Chemistry University of Vienna Phone: +43-1-4277-70202 GPG Key ID = A46BEE1A ######################################################################## 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/
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