Added a new mover (ResidueTypeConstraintMover) that assigns a
ResidueTypeConstraint to a pose (All I did is just making a simple mover using Sarel's ResidueTypeConstraint)
[integration tests comment]
- should not change any integration test
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Fix low-hanging gotos
Fix gotos that were simple replacements of break/continue/do-while/etc.
The gotos that are remaining are either multi-level breaks, other more
complex flow control, or in files I didn't bother to touch. (I didn't
bother with the multitude in apps/pilot/, as many of those are in
"private" applications, and some numeric/ files, as those look
to be straight transliterations of external code.)
All tests pass on my machine.
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Updating Centroid Rotamer (cenrot) Model
1. reweight pair and pair_ang by env dependency
2. refined rotamer cluster, new cenrot dunbrack lib
3. cbeta term for cenrot
4. bigger vdw radii for minimizing
5. updating unit test
6. minor bug fixing for compiling
others:
Adding more parameters for cart_bonded term
Hack in CartesianMinimizerMap, use RB1 to mark single atom
vdw term can load more than one atom_vdw.txt
Unit test all passed
53 ingegration test changes found
12 of them due to the cart_bonded term or new cenrot weights file
FAIL nonideal_rtmin
FAIL mr_protocols
FAIL hybridization
FAIL fold_cst_new
FAIL metalloprotein_abrelax
FAIL abinitio
FAIL splice_seq_constraint
FAIL repack_with_elec_dens
FAIL minimize_with_elec_dens
FAIL features_database_schema
FAIL symmetry_multicomponent
2 of them just failed as ref (missing weights file?)
FAIL splice_out
FAIL splice_in
others are minor numeric changes due to adding new cenrot_cbeta term
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