GitHub - bestlab/ensemble_rdc: Fits RDCs to ensembles

Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
data		data
testout		testout
Makefile		Makefile
PDBFile.py		PDBFile.py
README		README
build_dummies.cc		build_dummies.cc
common.cc		common.cc
common.h		common.h
coordnum.cc		coordnum.cc
coordnum_stats.cc		coordnum_stats.cc
coords.cc		coords.cc
coords.h		coords.h
general_rdc.py		general_rdc.py
general_rdc_np.py		general_rdc_np.py
mr2noelist.py		mr2noelist.py
noe.cc		noe.cc
noe_corfun.cc		noe_corfun.cc
noe_gmx.cc		noe_gmx.cc
rdc.cc		rdc.cc
rdc_funcs.cc		rdc_funcs.cc
rdc_funcs.h		rdc_funcs.h
rdc_parmopt.cc		rdc_parmopt.cc
rdc_reweight.cc		rdc_reweight.cc
s2.cc		s2.cc
swapbytes.cc		swapbytes.cc
swapbytes.h		swapbytes.h
test_rdc.csh		test_rdc.csh
traj.cc		traj.cc
traj.h		traj.h

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This code fits simulated ensembles of structures to experimental RDCs.

See test_rdc.csh for use cases.

Fits RDCs to ensembles