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IDProjectCategoryView StatusDate SubmittedLast Update
0000328Rosetta[All Projects] Input Handlingpublic2014-03-27 10:572014-03-27 10:57
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PlatformOSOS Version
Product Version 
Fixed in Version 
Summary0000328: Ligands will all atoms incorrectly named cause Rosetta error.
DescriptionIf you have a (non-polymeric) ligand in your PDB, but you don't have any of the appropriately named atoms, Rosetta will attempt to put the ligand in the pose (as opposed to discarding/ignoring it), but when it tries to fill the missing atoms it won't have anything to anchor on, so it will just spin helplessly until it errors out with a somewhat obtuse error message.
Steps To ReproduceTake a structure with a non-polymeric ligand. Rename all the atoms in the PDB to something else. Try to score it in Rosetta.
TagsNo tags attached.
Application(s) Affectedall
Command Line Usedna
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Fixed in SVN Version
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Date Modified Username Field Change
2014-03-27 10:57 rmoretti New Issue

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