Hi all,
The formatConverter 1.0.7 and api 1.0.3 are now also available from
SourceForge.
The main changes in the FormatConverter are:
- linkResonances now has a 'fast linking' option with default settings.
This will not work as well as going through everything in detail.
- Made it more obvious that you have to run linkResonances to assign the
NMR information from Resonances to Atoms after importing files.
- Added CHARMM coordinate reading/writing. The matching naming system is
currently set to XPLOR, so some minor niggles remain with this.
- Can now use fixed atom serials for coordinate writing (set when
reading). Currently only available on Python layer.
- Added 'examples' directory to python/ccpnmr/format. This contains some
simple scripts that show how you can use the Python layer of the
formatConverter.
- Added Monte format reader. Is not fully functional yet.
- Fixed bug in NmrView project reader
- Now using the new NMR experiment prototype setup to create experiments.
- Work is in progress on a script that allows you to copy peakLists, ...
from one project to another. You can try the current version by running
python/ccpnmr/format/gui/DataShifter.py - any comments are welcome. Just
make sure you back up the files you copy data into!
Bye,
Wim
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