Multiple bug fixes

src/fpout.c

@@ -261,7 +261,7 @@ void write_descriptors_DB(c_lst_pockets *pockets, FILE *f)
    fprintf(f, "cav_id drug_score volume nb_asph inter_chain apol_asph_proportion mean_asph_radius "
               "as_density mean_asph_solv_acc mean_loc_hyd_dens flex hydrophobicity_score volume_score charge_score "
               "polarity_score a0_apol a0_pol af_apol af_pol n_abpa "
-              "ala cys asp glu phe gly his ile lys leu met asn pro gln arg ser thr val trp tyr "
+              "ala arg asn asp cys gln glu gly his ile leu lys met phe pro ser thr trp tyr val "
               "chain_1_type chain_2_type num_res_chain_1 "
               "num_res_chain_2 lig_het_tag name_chain_1 name_chain_2\n");
    while (npcur)

src/pocket.c

@@ -614,7 +614,7 @@ void set_pockets_descriptors(c_lst_pockets *pockets,s_pdb *pdb,s_fparams *params
 
 			/* Calculate descriptors*/
 
-			set_descriptors(pocket_atoms, natms, tab_vert,pcur->v_lst->n_vertices, pcur->pdesc,niter,pdb_w_lig,params->flag_do_asa_and_volume_calculations) ;
+			set_descriptors(pocket_atoms, natms, tab_vert,pcur->v_lst->n_vertices, pcur->pdesc,niter,pdb,params->flag_do_asa_and_volume_calculations) ;
 
 			my_free(pocket_atoms) ;
 

src/writepocket.c

@@ -79,7 +79,7 @@ static const char atomSiteHeader[] =
 
 void write_each_pocket_for_DB(const char out_path[], c_lst_pockets *pockets, s_pdb *pdb) {
     int out_len = strlen(out_path);
-    char out[out_len + 20];
+    char out[out_len + 22];
     out[0] = '\0';
 
     node_pocket *pcur;