Hi,
First of all, the 'ChemComp' reference library (which contains information
on amino acids, DNA, RNA, ligands, ...) has been updated. This should not
affect you, except that the choice of 'variants' with different
protonation states is now much larger than before. Also, the H3 N-terminal
proton is now included in the amino acid library and will be handled
correctly for coordinate reading/writing.
A quick update on today's FormatConverter (version b22) release then:
- Coordinate reading/writing for multimers (Pdb,Cns) is now more stable.
- Ansig project loading had some bugs, should now work OK.
- Molmol coordinate file writing now possible
- NmrView peak import/export can now set the separator for ambiguous
assignments
- ResonanceGroup handling should now work OK.
- The Atom Selection popup in linkResonances is reworked.
- linkResonances now has a verbose option (can turn off all output)
Bye,
Wim
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Wim Vranken [log in to unmask]
Macromolecular Structure Database (MSD) group
European Bioinformatics Institute (EMBL outstation)
Wellcome Trust Genome Campus
Cambridge CB10 1SD, UK
Tel: +44-1223-494682 Fax: +44-1223-494487
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