Opened 7 years ago

Closed 7 years ago

#1328 closed defect (fixed)

User-supplied template CYX does not match the residue 60 (CYS)

Reported by: lize.fudan@… Owned by: Tristan Croll
Priority: normal Milestone:
Component: Third Party Version:
Keywords: Cc: Tom Goddard
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

Hello:
Thank you for your help with the Isolde in Chimera X. And I have encountered another exception after the start  the use of Isolde.The reminder is listed below: 

Exception: User-supplied template CYX does not match the residue 60 (CYS)

File "/Applications/ChimeraX 0.6.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/simtk/openmm/app/forcefield.py", line 1054, in createSystem
raise Exception('User-supplied template %s does not match the residue %d (%s)' % (tname, res.index+1, res.name))

Could you help me with this problem? Thank you for your help.

Best, 

Change History (3)

comment:1 by Eric Pettersen, 7 years ago

Cc: Tom Goddard added
Component: UnassignedThird Party
Owner: set to Tristan Croll
Platform: all
Project: ChimeraX
Status: newassigned

in reply to:  2 ; comment:2 by tic20@…, 7 years ago

This message means that a cysteine residue somewhere in your model is incomplete. Either you haven’t added hydrogens (in which case, I highly recommend reading the “Getting Started” page after clicking ISOLDE’s Help button), or one or more cysteines is truncated. Unfortunately the current version requires cysteines to be built (other residues may be truncated to Ala or Gly). The new version will help a lot in diagnosing/fixing problems like this, but won’t be out for another month or so.

 
 
Tristan Croll
Research Fellow
Cambridge Institute for Medical Research
University of Cambridge CB2 0XY
 

 


comment:3 by Tristan Croll, 7 years ago

Resolution: fixed
Status: assignedclosed

Ancient ticket, long since fixed.

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