From 4810330d3210d892d6e7e6432835c1259d8d3d5b Mon Sep 17 00:00:00 2001 From: Peter Schmidtke Date: Tue, 23 Jul 2024 15:01:04 +0000 Subject: [PATCH] fixes in molfile abi version --- .../LINUXAMD64/molfile/libmolfile_plugin.a | Bin 1676160 -> 1665696 bytes src/read_mmcif.c | 2 +- 2 files changed, 1 insertion(+), 1 deletion(-) diff --git a/plugins/LINUXAMD64/molfile/libmolfile_plugin.a b/plugins/LINUXAMD64/molfile/libmolfile_plugin.a index c91b4dc82bfd7b81f4d4c0db2d11a6235b683994..69c84f78623009e08fb8a5cf26262843c89f5a98 100644 GIT binary patch delta 14776 zcmch83s@A_+5gP!0=vtwvkSPpT!aM|#2Xh)6%8Vrf*EvCY>6R}2#6Yz8ifQJOwfg} zByJEt?fUteG!p%q=F(WJN#kllESSVgE{eHW6AjTeZCtHJW8y7FzW2G1EITvYPoZxBJHk|9_Bm|0r+&{SLT)T)3j)Tjt+-yMqi`qYp6u$$RFHY0UQR z4d(y2eZ^tJUL6MDjvPG*d3q|l z$;n3hv)ydqE}0V#Czo;IaCjLP?_cyOtDCMU9B$Sd{Oc0A(pwaSwCCqbxR>IBRgEzF z_l6`tU&BQt4B`1_ui+-9Q6qjd^5CsQWQcx<-}MdWoJ|F#-ubsXHBV8Ca)13xDm2He 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zr1@;^jh2fNSC{D+>5Vv+^0;Mq!WNN0e8M&_N_MyOo29IYJLk*DmSc036Iqb9oZ@PcQDhh4Yy1f zpK|Qta~W?~lCo0#GOMXQgJ!*3itbM-b9WQ+>I*5a{ld=#zxKD39KmQ3($edPl%m1i z+OHg_%H4mI_)piV1GR2Eryo%t6F)O7jI!g1dihinkNC~oK|}4~?oE#_voG?Q7!z7< z+HJpfTsO?gSjXrQ-7r(eI!21$oHc9za>y}uI%hPahaPp@TYe6DRmX%>+-WTx6VkW7 td=8mmK4Mp$i0gsd*>WN-V@5YCth#Y@M$3((U8g=jr)5jHcV@Eh{{as3@x}lE diff --git a/src/read_mmcif.c b/src/read_mmcif.c index c174d69..9d29ffe 100644 --- a/src/read_mmcif.c +++ b/src/read_mmcif.c @@ -123,7 +123,7 @@ s_pdb *open_mmcif(char *fpath, const char *ligan, const int keep_lig, int model_ } if (par->xlig_resnumber > -1) { - + if (((is_ligand(par->chain_as_ligand, at_in[i].chain_auth,par->n_chains_as_ligand)) || (par->xlig_chain_code !=NULL && at_in[i].chain_auth[0] == par->xlig_chain_code[0] && at_in[i].resid_auth == par->xlig_resnumber && par->xlig_resname[0] == at_in[i].resname[0] && par->xlig_resname[1] == at_in[i].resname[1] && par->xlig_resname[2] == at_in[i].resname[2]) || (par->xlig_chain_code!=NULL && at_in[i].chain_auth[0] == par->xlig_chain_code[0] && at_in[i].resid_auth == par->xlig_resnumber && par->xlig_resname[0] == at_in[i].resname[0] && par->xlig_resname[1] == at_in[i].resname[1] && par->xlig_resname[2] == at_in[i].resname[2]))) { pdb->n_xlig_atoms++;