smaller the cell parameter of EM map
Dear all, The cell parameter of the EM map is always too large, which will make the model building program running very slow. But in factor, the structure is a smal part of cell. So can I smaller the cell parameter when I use phenix.map_to_structure_factors to convert the EM map to mtz file. Thank a lot! Wei
Hi Wei, cutting out a box with model and map around it may be a solution for your case. A tool for this is phenix.map_box or its GUI equivalent. Pavel P.S.: phenix.real_space_refine does this internally so 'irrelevant' box size never affects runtime of refinement. On 12/28/18 23:14, [email protected] wrote:
Dear all, The cell parameter of the EM map is always too large, which will make the model building program running very slow. But in factor, the structure is a smal part of cell. So can I smaller the cell parameter when I use phenix.map_to_structure_factors to convert the EM map to mtz file. Thank a lot!
Wei
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Thanks for the quick replay!
But my case is that no homology model for the target protein and it should be built directly from the em map. What should I do in this case ?
--
Wei Ding
P.O.Box 603
The Institute of Physics,Chinese Academy of Sciences
Beijing,China
100190
Tel: +86-10-82649083
E-mail: [email protected]
At 2018-12-29 15:30:51, "Pavel Afonine"
Hi, have a look at the documentation: https://www.phenix-online.org/documentation/reference/map_box.html Reading through it I find this phenix.map_box map.mrc density_select=true should do it. Let us know if it doesn't. Pavel On 12/29/18 07:46, [email protected] wrote:
Thanks for the quick replay! But my case is that no homology model for the target protein and it should be built directly from the em map. What should I do in this case ?
-- Wei Ding P.O.Box 603 The Institute of Physics,Chinese Academy of Sciences Beijing,China 100190 Tel: +86-10-82649083 E-mail: [email protected] mailto:[email protected]
At 2018-12-29 15:30:51, "Pavel Afonine"
wrote: Hi Wei,
cutting out a box with model and map around it may be a solution for your case. A tool for this is phenix.map_box or its GUI equivalent.
Pavel
P.S.: phenix.real_space_refine does this internally so 'irrelevant' box size never affects runtime of refinement.
On 12/28/18 23:14, [email protected] wrote:
Dear all, The cell parameter of the EM map is always too large, which will make the model building program running very slow. But in factor, the structure is a smal part of cell. So can I smaller the cell parameter when I use phenix.map_to_structure_factors to convert the EM map to mtz file. Thank a lot!
Wei
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Perfect! This problem bothering me for so long was finally solved!
Thank you very much for your help!
--
Wei Ding
P.O.Box 603
The Institute of Physics,Chinese Academy of Sciences
Beijing,China
100190
Tel: +86-10-82649083
E-mail: [email protected]
在 2018-12-30 00:43:01,"Pavel Afonine"
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