Hi all,
The (delayed) list of FormatConverter changes/additions in the recent
1.0.13 release:
- Created a system to use external sequential assignment programs and read
the information back into the data model. Needs to be paired up with
Analysis.
- Added support for Citation/People import (currently PDB only)
- DataShifter.py now handles resonances more consistently.
- Major rework of handling of parser import on DataFormat level (well
checked but could result in a silly bug here or there).
*** Format specific changes ***
- AutoAssign:
- Now handles shift info from AutoAssign output files
- Now reads sequence from AutoAssign output files
- Felix:
- Peak import now allows the user to set the information per
column
- Molmol:
- Now uses chainID as chain identifier (not segment ID)
- Mol2: New format. Handles molecule and chemComp import and chemComp
export.
- NmrStar:
- for 2.1.1, now handles chain codes correctly
- for 2.1.1, now automatically maps some BMRB chemComp codes.
- PDB:
- now imports secondary structure info and citation/people info
*** Minor changes ***
- Fixed atom serial bug in Dyana/Cyana coordinate file handling.
- Fixed problem with empty lines in XEASY files.
- Fixed bug in Talos export window
- FormatConverter should now not ask 'Save data' question if started from
Analysis
- linkResonances.py and DataFormat.py now handle 'lastSeqCode' when
mapping external chains to the internal CCPN ones.
Have fun,
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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