About displaying electron density maps (MTZ format) in chimerax
Hi,
I am currently trying to display an electron density map (from a MTZ file) in ChimeraX, but it seems that the display box size is limited. I would like to display the maps around ligands in an oligomeric protein, where the ligands are quite far from each other. Is there any way to increase the box size of the displayed map so that it covers all ligands ? Thanks ! Laurent
Laurent Maveyraud Professor of Biophysics | University of Toulouse | Structural Biophysics Team Doctoral School Biology - Health - Biotechnologies +33 5 61 17 54 35 | +33 6 46 04 21 11 | Laurent.Maveyraud@ipbs.fr mailto:Laurent.maveyraud@ipbs.fr | L. Maveyraud https://fr.linkedin.com/in/laurent-maveyraud-8b394a5 | L. Maveyraud https://orcid.org/0000-0003-4610-8319 UMR5089 | CNRS - UT3 | 205 Route de Narbonne BP 64182 - 31077 Toulouse Cedex 4 ipbs.fr https://www.ipbs.fr/| Team Website https://www.ipbs.fr/structural-biophysics| pict.ipbs.fr https://cribligand.ipbs.fr/ @IpbsToulouse https://twitter.com/IpbsToulouse ipbs.cnrs https://www.facebook.com/IPBS.CNRS/
Hi Laurent,
I assume you’re using the Clipper plugin for this? If so, the command “clipper isolate {atom selection}” will expand and mask the map to cover all atoms in the selection that are in the model associated with the map. Do “usage clipper isolate” to get details of the various keyword options.
Best, Tristan
On Wed, 5 Apr 2023 at 09:09, Laurent via ChimeraX-users < chimerax-users@cgl.ucsf.edu> wrote:
Hi,
I am currently trying to display an electron density map (from a MTZ file) in ChimeraX, but it seems that the display box size is limited. I would like to display the maps around ligands in an oligomeric protein, where the ligands are quite far from each other. Is there any way to increase the box size of the displayed map so that it covers all ligands ? Thanks ! Laurent
[image: logo-ipbs] Laurent Maveyraud Professor of Biophysics | University of Toulouse | Structural Biophysics Team
Doctoral School Biology - Health - Biotechnologies
+33 5 61 17 54 35 | +33 6 46 04 21 11 | Laurent.Maveyraud@ipbs.fr Laurent.maveyraud@ipbs.fr | L. Maveyraud https://fr.linkedin.com/in/laurent-maveyraud-8b394a5 | L. Maveyraud https://orcid.org/0000-0003-4610-8319
UMR5089 | CNRS - UT3 | 205 Route de Narbonne https://www.google.com/maps/search/205+Route+de+Narbonne?entry=gmail&source=g BP 64182 - 31077 Toulouse Cedex 4
ipbs.fr https://www.ipbs.fr | Team Website https://www.ipbs.fr/structural-biophysics | pict.ipbs.fr https://cribligand.ipbs.fr
@IpbsToulouse https://twitter.com/IpbsToulouse
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Hi Laurant, Otherwise (if not using Clipper), please see the ChimeraX command "volume cover" with the "atomBox" option:
https://rbvi.ucsf.edu/chimerax/docs/user/commands/volume.html#cover
I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Apr 5, 2023, at 1:44 AM, Tristan Croll via ChimeraX-users chimerax-users@cgl.ucsf.edu wrote:
Hi Laurent,
I assume you’re using the Clipper plugin for this? If so, the command “clipper isolate {atom selection}” will expand and mask the map to cover all atoms in the selection that are in the model associated with the map. Do “usage clipper isolate” to get details of the various keyword options.
Best, Tristan
On Wed, 5 Apr 2023 at 09:09, Laurent via ChimeraX-users chimerax-users@cgl.ucsf.edu wrote: Hi,
I am currently trying to display an electron density map (from a MTZ file) in ChimeraX, but it seems that the display box size is limited. I would like to display the maps around ligands in an oligomeric protein, where the ligands are quite far from each other. Is there any way to increase the box size of the displayed map so that it covers all ligands ? Thanks ! Laurent
Laurent Maveyraud Professor of Biophysics | University of Toulouse | Structural Biophysics Team Doctoral School Biology - Health - Biotechnologies +33 5 61 17 54 35 | +33 6 46 04 21 11 | Laurent.Maveyraud@ipbs.fr | L. Maveyraud | L. Maveyraud UMR5089 | CNRS - UT3 | 205 Route de Narbonne BP 64182 - 31077 Toulouse Cedex 4 ipbs.fr | Team Website | pict.ipbs.fr @IpbsToulouse ipbs.cnrs
ChimeraX-users mailing list ChimeraX-users@cgl.ucsf.edu Manage subscription: https://www.rbvi.ucsf.edu/mailman/listinfo/chimerax-users _______________________________________________ ChimeraX-users mailing list ChimeraX-users@cgl.ucsf.edu Manage subscription: https://www.rbvi.ucsf.edu/mailman/listinfo/chimerax-users
Thanks Elaine,
That works too ! Laurent
Laurent Maveyraud Professor of Biophysics | University of Toulouse | Structural Biophysics Team Doctoral School Biology - Health - Biotechnologies +33 5 61 17 54 35 | +33 6 46 04 21 11 | Laurent.Maveyraud@ipbs.fr mailto:Laurent.maveyraud@ipbs.fr | L. Maveyraud https://fr.linkedin.com/in/laurent-maveyraud-8b394a5 | L. Maveyraud https://orcid.org/0000-0003-4610-8319 UMR5089 | CNRS - UT3 | 205 Route de Narbonne BP 64182 - 31077 Toulouse Cedex 4 ipbs.fr https://www.ipbs.fr/| Team Website https://www.ipbs.fr/structural-biophysics| pict.ipbs.fr https://cribligand.ipbs.fr/ @IpbsToulouse https://twitter.com/IpbsToulouse ipbs.cnrs https://www.facebook.com/IPBS.CNRS/
Le 5 avr. 2023 à 17:12, Elaine Meng meng@cgl.ucsf.edu a écrit :
Hi Laurant, Otherwise (if not using Clipper), please see the ChimeraX command "volume cover" with the "atomBox" option:
<https://rbvi.ucsf.edu/chimerax/docs/user/commands/volume.html#cover https://rbvi.ucsf.edu/chimerax/docs/user/commands/volume.html#cover>
I hope this helps, Elaine
Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Apr 5, 2023, at 1:44 AM, Tristan Croll via ChimeraX-users <chimerax-users@cgl.ucsf.edu mailto:chimerax-users@cgl.ucsf.edu> wrote:
Hi Laurent,
I assume you’re using the Clipper plugin for this? If so, the command “clipper isolate {atom selection}” will expand and mask the map to cover all atoms in the selection that are in the model associated with the map. Do “usage clipper isolate” to get details of the various keyword options.
Best, Tristan
On Wed, 5 Apr 2023 at 09:09, Laurent via ChimeraX-users chimerax-users@cgl.ucsf.edu wrote: Hi,
I am currently trying to display an electron density map (from a MTZ file) in ChimeraX, but it seems that the display box size is limited. I would like to display the maps around ligands in an oligomeric protein, where the ligands are quite far from each other. Is there any way to increase the box size of the displayed map so that it covers all ligands ? Thanks ! Laurent
Laurent Maveyraud Professor of Biophysics | University of Toulouse | Structural Biophysics Team Doctoral School Biology - Health - Biotechnologies +33 5 61 17 54 35 | +33 6 46 04 21 11 | Laurent.Maveyraud@ipbs.fr mailto:Laurent.Maveyraud@ipbs.fr | L. Maveyraud | L. Maveyraud UMR5089 | CNRS - UT3 | 205 Route de Narbonne BP 64182 - 31077 Toulouse Cedex 4 ipbs.fr http://ipbs.fr/ | Team Website | pict.ipbs.fr http://pict.ipbs.fr/ @IpbsToulouse ipbs.cnrs
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participants (3)
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Elaine Meng
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Laurent
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Tristan Croll