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libcifpp
Commit 577b44ae by Maarten L. Hekkelman
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Fix in processing CCP4 monomers, proline is a peptide

parent 66f742d6
Showing with 2 additions and 2 deletions
src/Compound.cpp
...@@ -403,7 +403,7 @@ CompoundFactoryImpl::CompoundFactoryImpl(const std::filesystem::path &file, std: ...@@ -403,7 +403,7 @@ CompoundFactoryImpl::CompoundFactoryImpl(const std::filesystem::path &file, std:
if (cif::iequals(id, "gly")) if (cif::iequals(id, "gly"))
type = "peptide linking"; type = "peptide linking";
else if (cif::iequals(group, "l-peptide") or cif::iequals(group, "L-peptide linking") or cif::iequals(group, "peptide")) else if (cif::iequals(group, "l-peptide") or cif::iequals(group, "L-peptide linking") or cif::iequals(group, "peptide") or cif::iequals(group, "p-peptide"))
type = "L-peptide linking"; type = "L-peptide linking";
else if (cif::iequals(group, "DNA")) else if (cif::iequals(group, "DNA"))
type = "DNA linking"; type = "DNA linking";
...@@ -611,7 +611,7 @@ Compound *CCP4CompoundFactoryImpl::create(const std::string &id) ...@@ -611,7 +611,7 @@ Compound *CCP4CompoundFactoryImpl::create(const std::string &id)
if (cif::iequals(id, "gly")) if (cif::iequals(id, "gly"))
type = "peptide linking"; type = "peptide linking";
else if (cif::iequals(group, "l-peptide") or cif::iequals(group, "L-peptide linking") or cif::iequals(group, "peptide")) else if (cif::iequals(group, "l-peptide") or cif::iequals(group, "L-peptide linking") or cif::iequals(group, "peptide") or cif::iequals(group, "p-peptide"))
type = "L-peptide linking"; type = "L-peptide linking";
else if (cif::iequals(group, "DNA")) else if (cif::iequals(group, "DNA"))
type = "DNA linking"; type = "DNA linking";
......
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