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@JonasR
Created Aug 31, 2012
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create plots, comparing b factor on all atoms and on c alpha only
load ../../referenz_close_lessshallow.pse, ref
load ../../Output/WT/out/WT.ca.bFactor.pdb , bfca
align bfca, REFERENZchaina
delete REFERENZchaina
load ../../Output/WT/out/WT.prot.bFactor.pdb , bfprot
align bfprot, bfca
zoom bfca, buffer=-6
#Representations and colouring
hide everything
show dots, bfca
show cartoon, bfprot
spectrum b, rainbow, bfca
spectrum b, rainbow, bfprot
select mutations, resi 11+15 and bfprot
label n. CA and i. 11 and bfprot, "(%s, %s)" % (resn, b)
label n. CA and i. 15 and bfprot, "(%s, %s)" % (resn, b)
set label_size, -1.6
set label_color, magenta
clip slab, 180
##Create pngs
bg_color white
set ray_opaque_background, off
set ray_trace_mode, 0; # color raytrace, no outlines
set antialias, 2; #High anti-aliasings
ray 1450,900
save TSD_MD_WT_BF_CA_VS_PROT.png
---------
reinitialize
load ../../referenz_close_lessshallow.pse, ref
load ../../Output/178H/out/178H.ca.bFactor.pdb , bfca
align bfca, REFERENZchaina
delete REFERENZchaina
load ../../Output/178H/out/178H.prot.bFactor.pdb , bfprot
align bfprot, bfca
zoom bfca, buffer=-6
#Representations and colouring
hide everything
show dots, bfca
show cartoon, bfprot
spectrum b, rainbow, bfca
spectrum b, rainbow, bfprot
select mutations, resi 11+15 and bfprot
label n. CA and i. 11 and bfprot, "(%s, %s)" % (resn, b)
label n. CA and i. 15 and bfprot, "(%s, %s)" % (resn, b)
set label_size, -1.6
set label_color, magenta
clip slab, 180
##Create pngs
bg_color white
set ray_opaque_background, off
set ray_trace_mode, 0; # color raytrace, no outlines
set antialias, 2; #High anti-aliasings
ray 1450,900
save TSD_MD_178H_BF_CA_VS_PROT.png
---------
reinitialize
load ../../referenz_close_lessshallow.pse, ref
load ../../Output/182L/out/182L.ca.bFactor.pdb , bfca
align bfca, REFERENZchaina
delete REFERENZchaina
load ../../Output/182L/out/182L.prot.bFactor.pdb , bfprot
align bfprot, bfca
zoom bfca, buffer=-6
#Representations and colouring
hide everything
show dots, bfca
show cartoon, bfprot
spectrum b, rainbow, bfca
spectrum b, rainbow, bfprot
select mutations, resi 11+15 and bfprot
label n. CA and i. 11 and bfprot, "(%s, %s)" % (resn, b)
label n. CA and i. 15 and bfprot, "(%s, %s)" % (resn, b)
set label_size, -1.6
set label_color, magenta
clip slab, 180
##Create pngs
bg_color white
set ray_opaque_background, off
set ray_trace_mode, 0; # color raytrace, no outlines
set antialias, 2; #High anti-aliasings
ray 1450,900
save TSD_MD_182L_BF_CA_VS_PROT.png
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