Merged master and JK-lab branch (protocols/pocket, devel/constel) to reflect recent changes in master (warnings as errors, SasaCalculator to SasaCalculatorLegacy, getScoreFunction() to get_score_function() ...
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Bug fix in splice to allow splice out of H3. Splice out integration test should change.
Bug fix in splice to allow splice out of H3. Splice out integration test should change.
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Corrected problem related to splicing out longer tail segments, and added lambda specific PSSMs and profilematch files for splice out.
So far the AbDesign and AbPredict protocol has not worked with lambda light chains. Here I'm adding
PSSMs and profileMatch info to enable this. At the same time I'm also fixing a bug in LoopLengthChange
which did not allow appending of more than one residue to tail segments when used with splice.cc.
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Corrected problem with spliceing out specifically longer tail segments.
This also meant changing LoopLengthChangeMover
Integration test changes expected to Splice integration test
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RMSD Functions: adding ability to calculate RMSDs for non-peptide heavy atoms only
This will allow me to calculate RMSDs for oligosaccharide ligands.
no test changes
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In Splice mover I added to superimpose function a feature that automatically aligns the source antibody to the template antibody
In CutChainMover I removed verbose tracer msgs
In splice_seq_constraints integration test I updated the xml and flags files to the latets version of Splice mover
All splice integration tests are expected to change
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