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
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