diff --git a/modules/io/pymod/__init__.py b/modules/io/pymod/__init__.py index ca619a1561732da5bc65912e1216d339351271f9..98314f2e5f0b1cda9b6ecd3ba321c443054a6f26 100644 --- a/modules/io/pymod/__init__.py +++ b/modules/io/pymod/__init__.py @@ -462,6 +462,17 @@ def LoadMMCIF(filename, fault_tolerant=None, calpha_only=None, except: raise + +def SaveMMCIF(ent, filename, data_name="OST_structure"): + """ + Save entity - All fantastic documentation comes here + """ + writer = MMCifWriter() + writer.SetStructure(ent) + writer.Write(data_name, filename) + + + # this function uses a dirty trick: should be a member of MMCifInfoBioUnit # which is totally C++, but we want the method in Python... so we define it # here (__init__) and add it as a member to the class. With this, the first