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[ccp4bb]: How to use xplor param files in CNS?
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I am having a problem with refinement of a structure at
1.6A. I have several ligands bound to the molecule which appear to be
actetates, a uridine and a phosphate. I have downloaded the .param and
...top xplor files from Gerard's HIC-UP. However when I try an use these
in CNS (ver 1.0) The program crashes.
Examining the files there seems to some subtle differences in syntax
between the xplor files and the CNS pre-packaged files such as
What I would like to know is, what modifications or trimming are
reguired to use the files from HIC-UP in CNS?
I have never used xplor and do not know how these filesa relate to the
ones in CNS.
I have tried adding the files as ligand or prosthetic group and also
pasting them into existing files with no success. What am I doing wrong?
Tom Caradoc-Davies (firstname.lastname@example.org)