#include <dcd.h>
Public Attributes | |
mdio_File | file |
struct { | |
int32 nbhead_begin | |
char title [4] | |
int32 numframes | |
int32 firststep | |
int32 framestepcnt | |
int32 numsteps | |
int32 zero5 [5] | |
float timestep | |
int32 iscell | |
int32 zero8 [8] | |
int32 charmmversion | |
int32 nbhead_end | |
int32 nbtitle_begin | |
int32 numtitle | |
char title_str [80] | |
char create_str [80] | |
int32 nbtitle_end | |
int32 nbnatoms_begin | |
int32 natoms | |
int32 nbnatoms_end | |
} | header |
struct { | |
int32 dummy1 | |
int32 nbcell_begin | |
double unitcell [6] | |
int32 nbcell_end | |
int32 dummy2 | |
} | cell |
int32 * | coordbuf |
float * | x |
float * | y |
float * | z |
int32 | coordbuflen |
int32 | nbcell |
int32 | stepnum |
int32 | status |
Members should be treated as private.