diff --git a/modules/io/src/mol/mmcif_writer.cc b/modules/io/src/mol/mmcif_writer.cc index 59d30f2e06db43db3cf32ab583c7fef52a8b798a..be209e559cb495080e2b5fba8fdf9cad55ec295d 100644 --- a/modules/io/src/mol/mmcif_writer.cc +++ b/modules/io/src/mol/mmcif_writer.cc @@ -241,15 +241,15 @@ namespace { case ost::mol::CHAINTYPE_POLY_PEPTIDE_L: return "polymer"; case ost::mol::CHAINTYPE_POLY_DN: return "polymer"; case ost::mol::CHAINTYPE_POLY_RN: return "polymer"; - case ost::mol::CHAINTYPE_POLY_SAC_D: return "polymer"; // branched? - case ost::mol::CHAINTYPE_POLY_SAC_L: return "polymer"; // branched? + case ost::mol::CHAINTYPE_POLY_SAC_D: return "polymer"; + case ost::mol::CHAINTYPE_POLY_SAC_L: return "polymer"; case ost::mol::CHAINTYPE_POLY_DN_RN: return "polymer"; case ost::mol::CHAINTYPE_UNKNOWN: return "unknown"; case ost::mol::CHAINTYPE_MACROLIDE: return "macrolide"; case ost::mol::CHAINTYPE_CYCLIC_PSEUDO_PEPTIDE: return "polymer"; case ost::mol::CHAINTYPE_POLY_PEPTIDE_DN_RN: return "polymer"; case ost::mol::CHAINTYPE_BRANCHED: return "branched"; - case ost::mol::CHAINTYPE_OLIGOSACCHARIDE: return "polymer"; // branched? + case ost::mol::CHAINTYPE_OLIGOSACCHARIDE: return "branched"; default: return "unknown"; } } diff --git a/modules/mol/base/src/chain_type.cc b/modules/mol/base/src/chain_type.cc index 8b1c444bc8dd831f2b57fd51bf1c7568c3f3516e..7604bbc50e0ad5bbaec0c3d566fdb8694c4f253d 100644 --- a/modules/mol/base/src/chain_type.cc +++ b/modules/mol/base/src/chain_type.cc @@ -108,8 +108,10 @@ String StringFromChainType(ChainType type) return "cyclic-pseudo-peptide"; } else if (CHAINTYPE_POLY_PEPTIDE_DN_RN == type) { return "peptide nucleic acid"; + // chain types as found in the pdbx_entity_branch category of a mmcif file } else if (CHAINTYPE_OLIGOSACCHARIDE == type) { return "oligosaccharide"; + // other... } else if (CHAINTYPE_UNKNOWN == type) { return "other"; } diff --git a/modules/mol/base/src/chain_type.hh b/modules/mol/base/src/chain_type.hh index f062606ec9e11d1544e04910ec10cc822be5ce8c..839844827c0b3a398232d337588a2e9e4f8355e4 100644 --- a/modules/mol/base/src/chain_type.hh +++ b/modules/mol/base/src/chain_type.hh @@ -50,7 +50,8 @@ typedef enum { CHAINTYPE_CYCLIC_PSEUDO_PEPTIDE, ///< cyclic-pseudo-peptide CHAINTYPE_POLY_PEPTIDE_DN_RN, ///< peptide nucleic acid CHAINTYPE_BRANCHED, ///< carbohydrate - CHAINTYPE_OLIGOSACCHARIDE, ///< oligosaccharide (branched carbohydrate) + CHAINTYPE_OLIGOSACCHARIDE, ///< oligosaccharide (branched carbohydrate, + ///< i.e. _entity.type is strictly 'branched') CHAINTYPE_N_CHAINTYPES ///< no. of chain types } ChainType;