Hi Fred Ligplot diagram is part of PDBsum output - maybe that will work for you.
Bostjan -- Bostjan Kobe FAA Australian Research Council Laureate Fellow Professor of Structural Biology School of Chemistry and Molecular Biosciences and Institute for Molecular Bioscience (Division of Chemistry and Structural Biology) and Centre for Infectious Disease Research Cooper Road University of Queensland Brisbane, Queensland 4072 Australia Phone: +61 7 3365 2132 Fax: +61 7 3365 4699 E-mail: b.k...@uq.edu.au <applewebdata://A220FB9B-AAC1-4876-9D6D-5C9F47D3C087/b.k...@uq.edu.au> URL: http://www.scmb.uq.edu.au/staff/bostjan-kobe Office: Building 76 Room 329 Notice: If you receive this e-mail by mistake, please notify me, and do not make any use of its contents. I do not waive any privilege, confidentiality or copyright associated with it. Unless stated otherwise, this e-mail represents only the views of the Sender and not the views of The University of Queensland. On 6/4/21, 11:48 pm, "CCP4 bulletin board on behalf of Fred Vellieux" <CCP4BB@JISCMAIL.AC.UK on behalf of frederic.velli...@lf1.cuni.cz> wrote: Hi folks, I'm trying to run Ligplot on a PDB file that contains a residue with type UNL (Unknown Ligand). I hadn't been using LigPlot for perhaps 2 years now (which means that I had to reinstall, with an expired license, and get familiar with it again). I get the following error message (rather cryptic): Calling HBADD ... Running HBADD Het Group Dictionary: /components.cif Temporary PDB file: /tmp/lig7141158588178475829/ligplus.pdb Command: /LigPlus/lib/exe_linux/hbadd /tmp/lig7141158588178475829/ligplus.pdb /components.cif -wkdir /tmp/lig7141158588178475829/ java.io.IOException: Cannot run program "/LigPlus/lib/exe_linux/hbadd": error=2, No such file or directory Other event: state Would anyone know what to make out of this message ? Otherwise is there another piece of software (called "app" nowadays) that could provide me with similar drawings ? At some stage I ran PRODRG, introduced the cif file in the file components.cif used by LigPlot (LigPlus). I also replaced the coordinate files by those returned by the PRODRG run. Always with the same cryptic error message provided by the software (oops, app). Thanks, Fred. -- MedChem, 1st F. Medicine, Charles University BIOCEV, Vestec, Czech Republic ######################################################################## 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/ ######################################################################## 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/
