mrc to mtz conversion to open map in coot
Hi phenixbb I am new to phenix and am trying to convert a cryo-em map(mrc format) to mtz format using the phenix.map_to_structure_factors command .This proceess finishes without errors but the resultant mtz file is not viewable in coot . I have tried both the phenix.map_to_model and the phenix.map_to_model_histogram_1.12-2829 How is the best way to troubleshoot this ? Any inputs would be appreciated Sincerely Joshua Lobo University of Minnesota Twin Cities
On 02/08/17 19:49, Joshua Jude Lobo wrote:
Hi phenixbb
I am new to phenix and am trying to convert a cryo-em map(mrc format) to mtz format using the phenix.map_to_structure_factors command .This proceess finishes without errors but the resultant mtz file is not viewable in coot . I have tried both the phenix.map_to_model and the phenix.map_to_model_histogram_1.12-2829
How is the best way to troubleshoot this ?
Calculate -> Scripting -> map_histogram(0) # or whatever your map number is Do you see a sensible histogram? If so, the problem is merely that you are looking at the wrong part of the cell or using the wrong contour level. Modern versions of coot go to centre of the cell if a model has not been loaded - this is usually the right place to find your molecule. Paul.
Hi Paul
Thank you for your reply . I was using Auto-open-MTZ option in the
drop-down for opening my map and it was failing to show up. However ,the
Open MTZ option correctly read my MTZ file and displayed it.
Thank you for your help . The python function to generate the histogram was
very helpful .
Sincerely
Joshua Lobo
On Aug 2, 2017 13:59, "Paul Emsley"
On 02/08/17 19:57, Paul Emsley wrote:
Calculate -> Scripting ->
Calculate -> Scripting -> Python
:-/
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Auto-open-MTZ is to load MTZ file assuming it contains Fourier map coefficients with labels that Coot recognizes automatically as appropriate map coefficients. In case of other labels (such as you get from phenix.map_to_structure_factors) you need to use "Open MTZ,.." and then specify what array you want to load. Now it helps to understand that mrc file contains actual real-space map, not Fourier map coefficients. To load that map into Coot you need to use "Open map". Pavel On 8/3/17 08:34, Joshua Jude Lobo wrote:
Hi Paul
Thank you for your reply . I was using Auto-open-MTZ option in the drop-down for opening my map and it was failing to show up. However ,the Open MTZ option correctly read my MTZ file and displayed it.
Thank you for your help . The python function to generate the histogram was very helpful .
Sincerely Joshua Lobo
On Aug 2, 2017 13:59, "Paul Emsley"
mailto:[email protected]> wrote: On 02/08/17 19:57, Paul Emsley wrote:
Calculate -> Scripting ->
Calculate -> Scripting -> Python
:-/
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Joshua, You can coerce Coot to auto-open your mtz if you add to your ~/.coot-preferences/phenix.py file: set_auto_read_column_labels("F", "PHIF") Paul. On 03/08/17 20:57, Pavel Afonine wrote:
Auto-open-MTZ is to load MTZ file assuming it contains Fourier map coefficients with labels that Coot recognizes automatically as appropriate map coefficients. In case of other labels (such as you get from phenix.map_to_structure_factors) you need to use "Open MTZ,.." and then specify what array you want to load.
Now it helps to understand that mrc file contains actual real-space map, not Fourier map coefficients. To load that map into Coot you need to use "Open map".
Pavel
On 8/3/17 08:34, Joshua Jude Lobo wrote:
Hi Paul
Thank you for your reply . I was using Auto-open-MTZ option in the drop-down for opening my map and it was failing to show up. However ,the Open MTZ option correctly read my MTZ file and displayed it.
Thank you for your help . The python function to generate the histogram was very helpful .
Sincerely Joshua Lobo
On Aug 2, 2017 13:59, "Paul Emsley"
mailto:[email protected]> wrote: On 02/08/17 19:57, Paul Emsley wrote:
Calculate -> Scripting ->
Calculate -> Scripting -> Python
:-/
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participants (3)
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Joshua Jude Lobo
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Paul Emsley
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Pavel Afonine