Hi all,
FormatConverter changes/additions in the 1.0.18 release:
- Can now export using the CCPN chain and sequence codes (in the GUI
click the 'Use CCPN chain and sequence codes' button, or set the
'useCcpnChainInfo' parameter to True on the Python level)
- Fixed problems with setting intra and inter molecular bonds in CCPN
when importing sequence/coordinates
- Now using dictionary for exporting naming system specific atom
names - should be faster
- Better integration with Analysis code for importing spectrum
parameters (Wayne)
*** Format specific changes ***
- Auremol
- Can now read peak lists.
- Bruker
- Now trying to get better information for raw data using pulse
program (still in development).
- CNS
- Added option to ignore peak information in distance constraint
list export
- Fixed reading of J coupling constraints
- NMR-STAR
- Better handling of chemical shift ambiguity codes
- Can now partially read 3.1 files
- PDB
- Now sets bonds correctly for files with multiple chains for
identical molecules.
- Pipp
- Can now export shift lists (without assignments)
- Sparky
- Can ignore reading of shift information when importing a project
- Now distinguishes between project and save files
- XEASY
- Can force intensity values to be set as 'height' in CCPN. In
the GUI, click the 'Force volumes as height values:' button.
*** Minor changes/fixes ***
- Fixed bug for Dyana format sequence import
- Mars format does not use PR prefix any more
- Fixed bug for CNS format where spurious TER statements were written
for coordinate file
- NmrDraw format now reads/sets low and high spectrum reference
points correctly
- Fixed minor bugs in linkResonances.
Bye,
Wim
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