create plots, comparing b factor on all atoms and on c alpha only

gistfile1.py

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