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fixes in molfile abi version

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This commit is contained in:
Peter Schmidtke
2024-07-23 15:01:04 +00:00
parent c75e2d7f98
commit 4810330d32
2 changed files with 1 additions and 1 deletions
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plugins/LINUXAMD64/molfile/libmolfile_plugin.a
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2
src/read_mmcif.c
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@@ -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++;