The new version of Modeller, 8v2, is now available for download from http://salilab.org/modeller/.
If you have a license key for Modeller 8v1 or 7v7, there is no need to reregister for Modeller 8v2 - the same license key will work. (It won't do any harm to reregister if you want to, though!)
If you encounter bugs in Modeller 8v2, please see http://salilab.org/modeller/manual/node11.html for information on how to report them.
8v2 is largely a bug fix release for 8v1: no changes to your 8v1 Python scripts are necessary to use 8v2, and TOP scripts (from Modeller 7 or 8) will still work. Fixes include:
# Bug fix for model_segment: specifying 'FIRST:@', 'LAST:' will now read in all chains in a multi-chain PDB, even when the first has no ID. # Bug fix: chain breaks were sometimes being placed incorrectly in written-out alignments. # Bug fix: some Python circular references, which were preventing memory from being freed, have been removed, thus fixing some long-running scripts. # Bug fix: pseudo atom tables are now reset where necessary; fixes some 'atom index out of range' errors. # Bug fix: local alignments with alignment.salign() were incorrect in some cases. # Bug fix: alignment.compare_structures() was calculating incorrect RMS values in some cases. # New optimized 2D gap penalties are now used for alignment.salign() by default. # More explanatory error messages for the common 'mismatch between alignment and PDB' problem. # The number of segments for DRMS computation (nsegm) and the matrix offset for structural local alignment (matrix_offset_3d) can now be specified in alignment.salign().
Ben Webb, Modeller Caretaker
Ok, I will try it.
On Tue, 28 Feb 2006, Modeller Caretaker wrote:
> The new version of Modeller, 8v2, is now available for download from > http://salilab.org/modeller/. > > If you have a license key for Modeller 8v1 or 7v7, there is no need to > reregister for Modeller 8v2 - the same license key will work. (It won't > do any harm to reregister if you want to, though!) > > If you encounter bugs in Modeller 8v2, please see > http://salilab.org/modeller/manual/node11.html > for information on how to report them. > > 8v2 is largely a bug fix release for 8v1: no changes to your 8v1 Python > scripts are necessary to use 8v2, and TOP scripts (from Modeller 7 or 8) will > still work. Fixes include: > > # Bug fix for model_segment: specifying 'FIRST:@', 'LAST:' will now read > in all chains in a multi-chain PDB, even when the first has no ID. > # Bug fix: chain breaks were sometimes being placed incorrectly in > written-out alignments. > # Bug fix: some Python circular references, which were preventing memory > from being freed, have been removed, thus fixing some long-running > scripts. > # Bug fix: pseudo atom tables are now reset where necessary; fixes some > 'atom index out of range' errors. > # Bug fix: local alignments with alignment.salign() were incorrect in > some cases. > # Bug fix: alignment.compare_structures() was calculating incorrect RMS > values in some cases. > # New optimized 2D gap penalties are now used for alignment.salign() by > default. > # More explanatory error messages for the common 'mismatch between > alignment and PDB' problem. > # The number of segments for DRMS computation (nsegm) and the matrix > offset for structural local alignment (matrix_offset_3d) can now be > specified in alignment.salign(). > > Ben Webb, Modeller Caretaker >
participants (2)
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Liu Shiyong
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Modeller Caretaker