Thank you Paul. I did not think about it. Stefanie, could you please send the log file to me?
Regards Garib > On 26 Apr 2024, at 14:17, Paul Emsley <pems...@mrc-lmb.cam.ac.uk> wrote: > > > On 25/04/2024 13:01, FREITAG-POHL, STEFANIE wrote: >> >> >> >> I have trouble adding a ligand with AceDRG in CCP4i2 into my refinement: >> >> I put in a smilesstring and the ligand is written ok, but since I can only >> chose already 'taken' 3-letter-codes the refinement always crashes as there >> is a clash with existing library entries. > > I suspect that the issue is not what you think it is. > > Look at the refmac log and tell us the refmac command line and the failure > message. > > > > Paul. > > > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > <https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> ######################################################################## 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/
