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3 Commits

Author SHA1 Message Date
pschmidtke
d9012c150b dropping fprintf in db output 2018-07-24 06:16:40 +00:00
Peter Schmidtke
d36eafc12e dropping -j12 from qhull make 2018-07-24 06:03:03 +00:00
pschmidtke
0eece05649 fixing bug on makedir in db output of fpocket 2018-07-24 06:01:07 +00:00
3 changed files with 2 additions and 6 deletions

View File

@@ -160,7 +160,6 @@ void process_pdb(char *pdbname, s_fparams *params)
if(pockets) {
if(params->db_run) {
write_descriptors_DB(pockets,stdout);
write_out_fpocket_DB(pockets, pdb, pdbname);

View File

@@ -217,9 +217,6 @@ void write_out_fpocket_DB(c_lst_pockets *pockets, s_pdb *pdb, char *input_name)/
else sprintf(out_path, "%s_out", pdb_code) ;
sprintf(command, "mkdir -p %s", out_path) ;
int status=system(command) ;
if(!status ){
return;
}
// Writing full pdb
sprintf(pdb_out_path, "%s_out.pdb", out_path) ;

View File

@@ -99,9 +99,9 @@ void write_pocket_pdb_DB(const char out[], s_pocket *pocket, s_pdb *pdb) {
node_vertice *nvcur = pocket->v_lst->first;
/*
/*
fprintf(stdout, "A Pocket:\n") ;
*/
*/
while (nvcur) {
/*
fprintf(stdout, "Vertice %d: %p %d %f\n", i, nvcur->vertice, nvcur->vertice->id, nvcur->vertice->ray) ;