Fix CA_rmsd warning message
Meiler lab Powercoding with Alyssa Lokits
Make it such that CA_rmsd(pose1,pose2) doesn't print a warning message
for missing CA atom (e.g. ligand residues or virtual residues). Explicit
range CA_rmsd will still print a warning.
Also fix/remove bb_rmsd_*() functions, which weren't actually using
all their parameters.
Fixes bug 0000337
Integration test changes expected as warnings are no longer printed:
membrane_relax
relax_w_allatom_cst
mr_protocols
hybridization
density_refine
metalloprotein_abrelax
density_refine_symm
readin_dna_rna_protein
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Add a cxx_ver option to test/run.py
Also remove the default for cxx, so hopefully Mac users will
now be able to better autodetect that they're using clang.
This fixes bug 0000335
No test changes expected
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Add some API docs on the nb_list minimizer option.
Specifically, I added doxygen comments to certain methods of MinMover
and MinimizerOptions. I wrote these comments because I just had to read
a bunch of code to figure out what nb_list did. I'm not an expert on
the minimizer, so these comments may not be perfectly complete or
accurate. But I don't think they're totally off-the-mark.
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Clean up source/ide/ directory from old xcode items
The new way of doing xcode is in source/xcode/
If you were still using the old xcode setup, see
https://wiki.rosettacommons.org/index.php/Tools:XCode
for details on the new way, or email the developers list
for help.
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[update of SandwichFeatures]
- much better (accurate and catching more) 'fnIII' topology identification
- should not change any integration tests other than (expected) features and features_database_schema (if any)
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Merge of several important changes from personal branch: (1) fix to geom_sol derivatives, needed for RNA, (2) removal of 'incorrect_deriv' options from hbonds, not in use anymore, (3) code to allow parsing of residue chains and numbers from tags like 'A:5-20', used now in stepwise assembly/monte carlo to read in 'conventional' chains and numbering from FASTA files, (4) cleanup of directory structure in protocols/stepwise/, including combination of all legacy/ subdirs into one subdir. Integration tests checked, and only RNA and swa/swm tests change, except maybe for order of tracer output from match tests.
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[typo corrected at ProteinResidueConformationFeatures]
[update of SandwichFeatures]
- change from 'fn3' to 'fnIII' because 'fnIII' seems more correct
according to '2008_Manipulating the stability of fibronectin type III domains by protein engineering'
- should not change any integration tests other than (expected) features and features_database_schema (if any)
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