Hi Fred, I don't know about Discovery studio but I know in Pymol you can select the peptide ligand yourself, e.g. via a sequence view. It just depends on what type of analysis you are doing.
Joel -----Original Message----- From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of Fred Vellieux Sent: Monday, July 3, 2023 10:10 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Question about BIOVIA DiscoveryStudio 2021 Folks, apologies for the non-CCP4 software question. I have tried to contact the BIOVIA DiscoveryStudio support team, somehow my browser does not allow me to open their "contact form". I am trying to visualize and perform an analysis on a protein:smaller molecule complex. The smaller molecule happens to be a long peptide. Whatever I do with the PDB (change ATOM cards to HETATM, change residue names to PEP, UNK, LGD, introduce MODEL and ENDMDL cards) DiscoveryStudio indicates the input PDB file doesn't contain any ligand. Would any one in this community have an idea of how to specify that a part of a coordinate file is the ligand, so that DiscoveryStudio 2021 recognises it as such and allows me to proceed? 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 http://www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by http://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/
