Merge pull request #154 from Discngine/issue-151

Bugfix of wrong atom_site parsing
fixes in molfile abi version
2026-06-04 11:54:21 +08:00 · 2024-09-04 10:02:25 +02:00 · 2024-07-23 15:01:04 +00:00 · 2024-07-23 10:00:35 +02:00 · 2024-07-23 07:39:34 +00:00
5 changed files with 1 additions and 1 deletions
--- a/plugins/LINUXAMD64/molfile/libmolfile_plugin.a
+++ b/plugins/LINUXAMD64/molfile/libmolfile_plugin.a
--- a/plugins/LINUXAMD64/molfile/pdbxplugin.so
+++ b/plugins/LINUXAMD64/molfile/pdbxplugin.so
--- a/plugins/MACOSXX86_64/molfile/libmolfile_plugin.a
+++ b/plugins/MACOSXX86_64/molfile/libmolfile_plugin.a
--- a/plugins/MACOSXX86_64/molfile/pdbxplugin.so
+++ b/plugins/MACOSXX86_64/molfile/pdbxplugin.so
--- 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++;
Author	SHA1	Message	Date
Peter Schmidtke	9fdba19dd7	Merge pull request #154 from Discngine/issue-151 Bugfix of wrong atom_site parsing	2024-09-04 10:02:25 +02:00
Peter Schmidtke	4810330d32	fixes in molfile abi version	2024-07-23 15:01:04 +00:00
pschmidtke	c75e2d7f98	adding osx shared libraries	2024-07-23 10:00:35 +02:00
Peter Schmidtke	0e8b195945	issue-151 fix	2024-07-23 07:39:34 +00:00