Re: [PyMOL] symexp

[Hongbo Z. <hon...@bi...>]

You are right, Thomas! The information is redundant in REMARK 290.

I just performed a small test which confirms your conclusion:
remove CRYST1 will make symexp to complain "ExecutiveSymExp-Error: No 
symmetry loaded!" even if REMARK 290 is present, while removing REMARK 
290 does not have any effect on symexp.

don't know whether it make sense to monitor both cryst1 and remark 290...

On 03/22/2011 10:19 AM, Thomas Holder wrote:
>> It seems REMARK 290 that contains crystallographic symmetry
>> transformations is used for computing the positions of neighboring ASUs.
>
> the CRYST1 record is sufficient for generating symmetry mates, so
> pymol most likely does not read REMARK 290.
>
> Cheers,
>    Thomas
>

-- 
Hongbo ZHU