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Re: [modeller_usage] question about restraint violations
- To: "Song, Hyundeok (songhk)" <songhk AT mail.uc.edu>
- Subject: Re: [modeller_usage] question about restraint violations
- From: Modeller Caretaker <modeller-care@ucsf.edu>
- Date: Wed, 20 Oct 2010 13:28:10 -0700
- Cc: "modeller_usage@listsrv.ucsf.edu" <modeller_usage@listsrv.ucsf.edu>
On 10/19/10 4:53 PM, Song, Hyundeok (songhk) wrote:
I generated some protein by Modeller.
When I checked the log file, I found a lot of restraint violations.
I have a question.
How can I remove restrain violations ?
Restraint violations, particularly of the distance restraints, tend to
indicate either a poor choice of template (e.g. low coverage or low
sequence identity) or an optimizer failure. In the latter case, simply
build more models and pick the best one. In the former case, look for
better templates.
Ben Webb, Modeller Caretaker
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