Edit detail for Release_1.2 revision 1 of 1
1
Editor: damberger
Time: 2004/12/15 10:42:14 GMT+0
Note: 
changed:
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This release consolidates and finalizes the changes of the last minor releases. The new external file formats like !NmrPipe or BMRB have further been improved.

- !NmrPipe: dimension order is now obtained from the !NmrPipe file. No other issues pending at the moment.

- BMRB Files: I extended the parser so it can digest a whole BMRB file as it can usually be found in the database. It should be able to read 80% at least of all available files. Some have minor variations of the mainstream and may not be read properly. In that case an error message appears, which you can post to the issue tracker together with the zipped BMRB file. I will have a look at it. Even if the whole file is parsed, only sequence and atom list are interpreted (and also some other attributes).

- All Scopes: *PI* repaired, no more crash

- PolyScope: new command *PN*..Pick New System

- StripScope: New menu item Calibrate in Strip menu

- Repository: It is now possible to define the folding properties of a spectrum within the repository. Use the new attribute "fold" in "cal" element. "fold" accepts values **N**..None, **A**..Aliased (translated) und **F**..Folded (mirrored). It is not yet possible to change the folding within the program (will implement that later). Change it directly by editing the repository file. New file version 32, up- and downward compatible.
  
- New BMRB Stats file parser. Labels are not translated, the user has to take care of the differences (e.g. H -> HN) by herself. The "import values" command in sequence view now accepts *.stats files. The menu is now also available in the residue type view, where it directly affects the residue types (not the sequence). In the latter case the residue type and atom symbols have to correspond to the repository in use, otherwise an error is reported.

- Export EASY spectra: now saving to *.3D.param files. There was also an irregularity for spectra without folding (folding line in param was missing, which some programs like CANDID didn't like). Now fixed.

Cheers

Rochus

This release consolidates and finalizes the changes of the last minor releases. The new external file formats like NmrPipe or BMRB have further been improved.

  • NmrPipe: dimension order is now obtained from the NmrPipe file. No other issues pending at the moment.
  • BMRB Files: I extended the parser so it can digest a whole BMRB file as it can usually be found in the database. It should be able to read 80% at least of all available files. Some have minor variations of the mainstream and may not be read properly. In that case an error message appears, which you can post to the issue tracker together with the zipped BMRB file. I will have a look at it. Even if the whole file is parsed, only sequence and atom list are interpreted (and also some other attributes).
  • All Scopes: PI repaired, no more crash
  • PolyScope: new command PN..Pick New System
  • StripScope: New menu item Calibrate in Strip menu
  • Repository: It is now possible to define the folding properties of a spectrum within the repository. Use the new attribute "fold" in "cal" element. "fold" accepts values N..None, A..Aliased (translated) und F..Folded (mirrored). It is not yet possible to change the folding within the program (will implement that later). Change it directly by editing the repository file. New file version 32, up- and downward compatible.
  • New BMRB Stats file parser. Labels are not translated, the user has to take care of the differences (e.g. H -> HN) by herself. The "import values" command in sequence view now accepts *.stats files. The menu is now also available in the residue type view, where it directly affects the residue types (not the sequence). In the latter case the residue type and atom symbols have to correspond to the repository in use, otherwise an error is reported.
  • Export EASY spectra: now saving to *.3D.param files. There was also an irregularity for spectra without folding (folding line in param was missing, which some programs like CANDID didn't like). Now fixed.

Cheers

Rochus