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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