[phenixbb] PHENIX atom selection language
Jianghai Zhu
jzhu at idi.harvard.edu
Thu Oct 6 15:19:34 PDT 2011
Cool. Thanks, Pavel. It would be nice to have a list of all selection keywords and corresponding definitions somewhere.
-- Jianghai
On Oct 6, 2011, at 6:16 PM, Pavel Afonine wrote:
> 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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