OpenStructure
dcd_io.hh
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18 //------------------------------------------------------------------------------
19 #ifndef OST_IO_ENTITY_DCD_IO_HH
20 #define OST_IO_ENTITY_DCD_IO_HH
21 
22 /*
23  CHARMM trajectory IO
24  Authors: Ansgar Philippsen, Marco Biasini
25  */
26 
27 #include <ost/io/module_config.hh>
28 #include <ost/mol/coord_group.hh>
29 #include <ost/io/mol/io_profile.hh>
30 namespace ost { namespace io {
31 
32 
33 
39  const String& trj_filename,
40  unsigned int stride=1,
41  bool lazy_load=false,
42  bool detect_swap=true,
43  bool byte_swap=false);
44 
45 
51  const String& pdb_filename,
52  const String& dcd_filename,
53  unsigned int stride=1,
54  const IOProfile& profile=IOProfile());
55 
56 
57 }} // ns
58 
59 #endif
coordinate group, for trajectories and such
Definition: coord_group.hh:39
Protein or molecule.
#define DLLEXPORT_OST_IO
std::string String
Definition: base.hh:54
void DLLEXPORT_OST_IO SaveCHARMMTraj(const mol::CoordGroupHandle &coord_group, const String &pdb_filename, const String &dcd_filename, unsigned int stride=1, const IOProfile &profile=IOProfile())
export coord group as PDB file and DCD trajectory if the pdb filename is an empty string,...
mol::CoordGroupHandle DLLEXPORT_OST_IO LoadCHARMMTraj(const mol::EntityHandle &ent, const String &trj_filename, unsigned int stride=1, bool lazy_load=false, bool detect_swap=true, bool byte_swap=false)
import a CHARMM trajectory in dcd format with an existing entity requires the existing entity and the...
Definition: base.dox:1