smaller the cell parameter of EM map
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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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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"
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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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Pavel Afonine