BALL
1.4.1
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#include <BALL/FORMAT/TRRFile.h>
Public Member Functions | |
TRRHeader () | |
Public Attributes | |
Size | MAGIC |
Magic number for the TRR format. This must be equal to 1993. | |
Size | VERSION |
The version number of the TRR format. | |
Size | title_string_length |
The length of the title string. | |
String | title_string |
The title string. | |
Size | ir_size |
Size | e_size |
Size | bounding_box_data_size |
Size | vir_size |
Size | pres_size |
Size | top_size |
Size | sym_size |
Size | position_data_size |
Size | velocity_data_size |
Size | force_data_size |
Size | number_of_atoms |
Size | timestep_index |
Size | nre |
float | timestep_time |
float | lambda |
The header for each coordinate set stored in the TRR file. The format can be found at
BALL::TRRFile::TRRHeader::TRRHeader | ( | ) | [inline] |
The size of the bounding box data: 9 means that we have an arbitrary box, i.e. the base vectors may have arbitray length and relative angles. The size is then stored as x1 y1 z1 x2 y2 z2 x3 y3 z3