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Commit 53003928 authored by Marco Biasini's avatar Marco Biasini
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update export of SaveCHARMMTraj

parent 6b6a4828
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...@@ -113,7 +113,9 @@ BOOST_PYTHON_MODULE(_ost_io) ...@@ -113,7 +113,9 @@ BOOST_PYTHON_MODULE(_ost_io)
def("LoadCRD", &LoadCRD); def("LoadCRD", &LoadCRD);
def("LoadCHARMMTraj_", &LoadCHARMMTraj, (arg("ent"), arg("trj_filename"), def("LoadCHARMMTraj_", &LoadCHARMMTraj, (arg("ent"), arg("trj_filename"),
arg("stride")=1, arg("lazy_load")=false)); arg("stride")=1, arg("lazy_load")=false));
def("SaveCHARMMTraj",SaveCHARMMTraj,save_charmm_trj_ov()); def("SaveCHARMMTraj", &SaveCHARMMTraj,
(arg("traj"), arg("pdb_filename"), arg("dcd_filename"), arg("stride")=1,
arg("profile")=IOProfile()));
def("LoadMAE", &LoadMAE); def("LoadMAE", &LoadMAE);
......
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