#include <redchi.h>
NOTE: requires C++ calls to alloc/dealloc
Most of the values here are primarily used by PDB files.
Data Fields | |
gchar * | filename |
filename (or space separated list of files) | |
gint | type |
file type (enum - see redchi.h) | |
gboolean | read_in |
is the file read in? | |
CMMDBManager | mmdb |
GHashTable * | shift_table |
lookup table for shift_struct | |
gint | shift_len |
length of shift vector | |
gsl_vector * | shift_vector |
shifts for each parameter | |
gint | hndl |
save a MMDB file hndl | |
gint | udd_shift |
the UDD integer storing the shift values | |
gchar * | selection |
initial file selection |
CMMDBManager file_struct::mmdb |
MMDB data - see: http://www.ebi.ac.uk/~keb/cldoc/ for details