[ccp4bb]: Monomer Library Sketcher

[Jason Yano <jkyano@scripps.edu>]

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Hi All,

I am trying to use Monomer Library Sketcher to generate the
monomer_lib.cif file. I have a ligand with aromatic rings and a few double
bonds. When I finish adding in all of the aromatic bonds ( using the
shift, rt mouse button), and I run create dictionary entry,  the program
fails to create output files. If I revert to
using only single and double bonds the program runs fine.

As a work around I have hand edited the .cif file and the .def file to
reflect the aromatic nature of the bonds.  Has anyone else noticed this?
I'm running ccp4-4.2.1 on a RH7.3 system.


Another problem that I have noticed is when trying to input ligands with
Halides (Cl). I select the correct elemet type using the the periodic
table pull down menu. When I run the program the output converts the Cl
back to nitrogen

Any help would be appreciated


Jason