「view this page in B3 βῆτα server」

Revisions №56456

branch: master 「№56456」
Commited by: jadolfbr
GitHub commit link: 「62b31f8ef84ffe90」
Difference from previous tested commit:  code diff
Commit date: 2014-03-06 19:02:43

make reduce radii default sasa radii for SasaCalc2/IAM + IAM bugfixes NEWS: ====Sasa==== * Make the reduce radii the default for SasaCalc, and subsequently IAM as discussed at MiniCon2014 * Add calculation of sidechain sasa within SasaCalc, make it accessable to SasaCalculator2 pose metric ====IAM Bugfixes==== * Implement packstat bug workaround to keep IAM from crashing on pymol selection printing of packstat residues. This bug in packstat makes the per-residue values returned not equal the total number of pose residues. You see the problem. I am not sure what causes this to happen, but it may be from the SimpPDB that is used in packstat. For now, we do not want IAM to crash on output of this selection. * Fix taskfactory bug that would cause a crash on poses with interface disulfides if -pack_separated option was used. This stemmed from pose separation repack needing a new packertask due to call to detect_disulfides. ===Tests ==== All integration tests that use IAM will change values slightly.

...