Pavel,

Instead of 'abusing' the altlocs (one CAN think of this as alternative locations of the whole chain) if you have a convenient better way, we are listening....

George

George N. Phillips, Jr., Ph.D.
Professor of Biochemistry and of
     Computer Sciences
University of Wisconsin-Madison
433 Babcock Dr. Madison, Wi 53706
Phone/FAX (608) 263-6142



On Sep 15, 2009, at 12:22 PM, Pavel Afonine wrote:

Hi Ben,

to allow so I will have to slightly change the code... I went through the whole PDB and did not find any item that has more than 3 or 4 conformers (at the moment of coding this). So that made my choice for that temporary limitation of max=4 conformers (putting aside a number of cases of abusing altlocs to mimic multiple models MODEL-ENDMDL). Unfortunately, nothing is so permanent as temporary, so we have 4 since that -:)

May I ask you: why you need to have more than 4 conformers? If it is really a bottleneck and stops you from doing something important right now, I can go ahead and fix it.

Pavel.


On 9/15/09 9:20 AM, Ben Mueller wrote:
I am a relatively new Phenix user and I am trying to see if it is possible to push the number of conformers beyond 4. I tried to do so, and I recieved the error message:

RuntimeError: Exceed maximum allowable number of conformers (=4).

Is there an easy (or difficult) way around this?

Thanks for your time,

Ben Mueller

Phillips Lab
Department of Biochemistry
University of Wisconsin - Madison

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