[phenixbb] PHENIX atom selection language

Pavel Afonine pafonine at lbl.gov
Thu Oct 6 15:16:02 PDT 2011


Example:

sel = chaina A and resseq 123 and resname LIG and altloc A

"resseq 123" and "resname LIG" are probably redundant, so you can just do

sel = chaina A and resseq 123 and altloc A

Another example:

sel = chaina A and resseq 123 and name C1 and altloc A

Pavel

On 10/6/11 3:12 PM, Jianghai Zhu wrote:
> I have a fragment with two conformations.  I want to select one of the conformations of this fragment.
>
> -- Jianghai
>
>
>
>
> On Oct 6, 2011, at 6:11 PM, Pavel Afonine wrote:
>
>> Hi Jianghai,
>>
>> there is no dedicated documentation. Most of what one can need is in phenix.refine documentation (and this is probably I know without looking at the source code). What exactly you need it for?
>>
>> Pavel
>>
>>
>> On 10/6/11 3:06 PM, Jianghai Zhu wrote:
>>> Hi,
>>>
>>> Where can I find a complete description of PHENIX atom selection language?  The examples in the PHENIX.REFINE manual are not enough.  Thanks.
>>>
>>> -- Jianghai
>>>
>>>
>>>
>>>
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