MantisBT - Rosetta
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0000222Rosetta[All Projects] Input Handlingpublic2013-03-19 17:022013-03-20 11:27
jkleman 
 
normalminoralways
newopen 
x86OS X10.7
Trunk 
 
Rosetta, PyRosetta
mypose = pose_from_pdb("test31.pdb"); mypose.dump_pdb("test31out.pdb")
Confirmed As Bug
0000222: coords in pose sidechain atoms are nan's, no warning to user
If backbone atoms in a pose are co-linear, no warning shows up that warns the user that the side-chain atoms can't be built. Instead, the coordinates are nan.
#reading into pose in PyRosetta
mypose = pose_from_pdb("test31.pdb")

#writing out
mypose.dump_pdb("test31out.pdb")
No tags attached.
? test31.pdb (325) 2013-03-19 17:02
https://carbon.structbio.vanderbilt.edu/mantisbt/file_download.php?file_id=20&type=bug
Issue History
2013-03-19 17:02jklemanNew Issue
2013-03-19 17:02jklemanFile Added: test31.pdb
2013-03-20 08:59smlewisNote Added: 0000189
2013-03-20 09:01smlewisFile Added: rosettadevelsidechainatomsinposearenans.zip
2013-03-20 09:01smlewisFile Deleted: rosettadevelsidechainatomsinposearenans.zip
2013-03-20 11:27SergeyApplication(s) AffectedPyRosetta => Rosetta, PyRosetta

Notes
(0000189)
smlewis   
2013-03-20 08:59   
This is confirmed with score_jd2 as well.