Hi everyone,
The new Format Converter release that Wayne announced yesterday has the
following new features:
- The import/export GUI windows now display most of the input flags and
parameters for the conversion scripts. Information buttons are also
available for concise descriptions of these input flags/parameters.
- Can now handle seqInsertCodes. This is, for example, codes like '101A'
in a PDB file, or codes like '90a' in an NMR data file. The
ChainLinkPopup window has been updated to handle this.
Warning: there might be some small differences in the way things are
handled, but generally this works better than before. Let me know if
there's any problems.
- Now supports the NmrConstraints package. linkResonances now runs on
either the FixedResonances (NmrConstraints package) or the Resonances
(Nmr package).
- Now supports RDC writing for CNS.
- Former 'Modal' windows now do not lock the Format Converter any more so
help windows can be displayed and scrolled. Killing by CTRL-C in the
shell window is still not always possible.
- Closing a Project will kill all open windows (except for text output).
Warning: this is not working perfectly yet (looking into it).
- DataFormat now works with 'IOkeywords' definitions that can be format
specific. This will allow easy handling of format-specific input (like
dimension labels for NMRView peak lists).
- Improved shell interaction (now also supports multi selection lists)
Large bug fixes:
- Fixed bug in experiment creation that occured when pressing 'Show all
experiments' and creating an experiment with another number of
dimensions than originally displayed. Also allows mapping between
different number of peak and experiment dimensions. (Brian Smith)
- Fixed bug in sequence reading - now works if molecule match was found
- Fixed molSystem creation so more dependable.
Plus many minor bug fixes...
Bye,
Wim.
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