Unusual entity info after conversion from mmtf to pdb and back #931
Description
Taking an mmtf, converting to pdb, and then back to mmtf yields some funky entity info.
Specifically, take "3zyb", which has 6 entities, the first of is "PA-I galactophilic lectin", with asymIds A through H.
After converting to a pdb and back, we have an unnamed first entity (expected), with asymIds as below.
A,B,C,D,E,F,G,H,C,D,E,F,G,H,D,E,F,G,H,E,F,G,H,F,G,H,G,H,H
I don't think this is desired?
The other entities have the correct number of chains associated (albeit slightly different asymIds, but I think it's a non-issue).
Code to reproduce
MmtfUtils.setUpBioJava();
try {
Structure struc = MmtfActions.readFromFile((new File("/tmp/3zyb.mmtf")).toPath());
System.out.println(struc.getEntityInfos());
Files.write((new File("/tmp/3zyb.pdb")).toPath(), struc.toPDB().getBytes());
Structure struc2 = StructureIO.getStructure((new File("/tmp/3zyb.pdb")).toURI().toURL().toString());
System.out.println(struc2.getEntityInfos());
MmtfActions.writeToFile(struc2, (new File("/tmp/3zyb_weird.mmtf")).toPath());
} catch (Exception e) {
e.printStackTrace();
System.exit(1);
}