#include <open_prospect.h>
Public Member Functions | |
ProspectParam (char *base_path=NULL) | |
~ProspectParam () | |
int | Init (void) |
int | InitRotamer (void) |
Initilized Rotamer array library. | |
int | InitPops (void) |
PopsParam * | GetPopsParam (void) |
PopsParam * | GetPopsRParam (void) |
char ** | Template_Paths (void) |
Find the different directories that have been listed as holding templates. | |
char * | TemplateFind (char *template_name) |
Find a template among the different template directories. | |
threading_function | ThreaderFind (char *request_name) |
This function finds the function pointer for the requested threader. | |
int | Weight_Find (char *request_name, WeightArray weights) |
int | DoThreading (char *threader_name, WeightArray weight, TemplateStruct *template_data, TargetStruct *target_data, AlignmentStruct *alignment, struct ScoreStruct *scores) |
This function initilized the structure data used for rotamer prediction. | |
int | DoThreading (threading_function threader, WeightArray weight, TemplateStruct *template_data, TargetStruct *target_data, AlignmentStruct *alignment, struct ScoreStruct *scores) |
void | CopyGonnetMatrix (class TemplateStruct *template_data) |
Data Fields | |
char * | ProspectPath |
char ** | template_paths |
pValType ** | PAIR_POT |
pValType | SINGLETON [21][9] |
char | ALIGN_MATRIX [21][21] |
pValType | GONNET_MATRIX [21][21] |
pValType | CONTACT_MATRIX [21][MaxContactCount] |
DfireStruct | dfire |
ResidueInfoElement * | residue_info |
RotamerArray * | rotamer_array |
AtomData * | atom_data |
int | atom_data_count |
PopsParam * | pops_param |
PopsParam * | pops_r_param |
char | output_weights |
char | output_timeinfo |
char | output_template_loc |
char | output_pdb |
char | output_backbone |
char | simple_twobody |
unsigned char | ncpus |
long | max_bytes |
int | z_cycles |
char | filter |
char | no_loop |
char | second_guess |
char | full_twobody |
char | v_level |
Definition at line 454 of file open_prospect.h.
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Find the different directories that have been listed as holding templates.
Definition at line 248 of file prospect_param.cc. References ProspectPath. |
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Find a template among the different template directories.
Definition at line 225 of file prospect_param.cc. References template_paths. |
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This function finds the function pointer for the requested threader.
Definition at line 65 of file prospect_param.cc. Referenced by DoThreading(). |