Skip to content

bestlab/ensemble_rdc

BranchesTags

Folders and files

NameName
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
 
 

Repository files navigation

This code fits simulated ensembles of structures to experimental RDCs.

See test_rdc.csh for use cases.

About

Fits RDCs to ensembles

Resources

Readme
Activity
Custom properties

Stars

3 stars

Watchers

4 watching

Forks

0 forks
Report repository

Releases

No releases published

Packages

 
 
 

Contributors

Languages