Visualize docking grids: Difference between revisions
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(Created page with "Written by Jiankun Lyu, 20180309 1) Convert grids into a format that Chimera can read in 1.1) The vdw grid 1.2) The electrostatic grid 1.3) The desolvation grid 2) Visual...") |
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1) Convert grids into a format that Chimera can read in | 1) Convert grids into a format that Chimera can read in | ||
1.1) The vdw | cd /your/dock/path/dockfiles | ||
1.1) The VDW grid | |||
python /mnt/nfs/home/jklyu/zzz.script/pymol_movie/create_VDW_DX.py | |||
The output should be vdw_energies_repulsive.dx, vdw_energies_attractive.dx and vdw.dx. | |||
1.2) The electrostatic grid | 1.2) The electrostatic grid | ||
python /mnt/nfs/home/jklyu/zzz.script/pymol_movie/phi_to_dx.py trim.electrostatics.phi trim.electrostatics.dx | |||
The output should be trim.electrostatics.dx. | |||
1.3) The desolvation grid | 1.3) The desolvation grid | ||
2) Visualize grids in Chimera | 2) Visualize grids in Chimera | ||
Revision as of 23:04, 9 March 2018
Written by Jiankun Lyu, 20180309
1) Convert grids into a format that Chimera can read in
cd /your/dock/path/dockfiles
1.1) The VDW grid
python /mnt/nfs/home/jklyu/zzz.script/pymol_movie/create_VDW_DX.py
The output should be vdw_energies_repulsive.dx, vdw_energies_attractive.dx and vdw.dx.
1.2) The electrostatic grid
python /mnt/nfs/home/jklyu/zzz.script/pymol_movie/phi_to_dx.py trim.electrostatics.phi trim.electrostatics.dx
The output should be trim.electrostatics.dx.
1.3) The desolvation grid
2) Visualize grids in Chimera