On 05/11/11 11:00, herman.schreu...@sanofi-aventis.com wrote:
Dear Madhavi,
How did you generate the cif file? Did you make sure that CL1 and CL2 are
defined as atom.type_symbol CL and not C? If you used e.g. prodrg with your old
file with old positions of the CL atoms, prodrg will have generated a cif file
with atom types C instead of CL.
Herman
The residue name is MK5, which is not included in the CCP4 distribution,
so the dictionary entry must have been custom created.
--
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All Things Serve the Beam
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David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
schul...@cornell.edu
