[phenixbb] SHELX sites to use in Phenix.

[Terwilliger, Thomas Charles]

?Hi Mahmudul?,


You can specify:


sites_file=my_shelx_sites.pdb


in autosol and it will use these sites instead of looking for sites.

All the best,

Tom T


________________________________
From: phenixbb-bounces at phenix-online.org <phenixbb-bounces at phenix-online.org> on behalf of Mahmudul Hasan <mahmudbt at gmail.com>
Sent: Wednesday, October 18, 2017 8:44 AM
To: phenixbb at phenix-online.org
Subject: [phenixbb] SHELX sites to use in Phenix.

Dear All,
I am trying to solve a structure using Phenix with very low anomalous signal. After several trials it seems like the signal from Manganese is not enough to solve this protein structure. Reading information that SHELX is good in finding sites from low molecular weight molecules (e.g. S, etc.), I tried the online version of SHELX in CCP4 to find the sites. Now I would like use these sites found by SHELX to see if that help to solve the structure.

My question is, what is the best way to include extra sites besides the program Autosol find itself? Your valuable suggestions will help me a lot to get going with my structure solution effort.

Best wishes,
Mahmudul
Lund
Sweden
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