dear ccp4 forum
Does anybody know which version of coot is compatible with
which version of ccp4i, or more specifically, refmac? I seem to be having
DNA recognition problem between the two softwares. I haven isolated the
problem to the differences between naming conventions. However,
manipulating the naming convention would only cause the pdb file to work in
one of the software but not both. If it works for refmac the real space
refinement in coot would not work. The warning sign pops up for that would
says 'failed to match these atoms names (O1P, C5*...etc)to the dictionary'
and if it works for the coot the refmac would not process the pdb file at
all.
Naturally the first thing i thought of to do is to synchronize
the dictionaries in both of these programs but doesn't seem to be that
straight forward. I suspect it has something to do with the import cif
dictionary but i don't know where to import it from. That's why i think it
might be easier find a version of coot that's compatible or vice versa.
The versions of programs i currently running on are coot 0.6.2 and ccp4
6.3.0 interface 2.2.0. The version of refmac in ccp4 is 5.0.
Please let me know if I am on the right track or if there is a
easier way to do this.
Thanks
Norm
