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pymol高级绘图

pymol高级绘图

作者: 可能性之兽 | 来源:发表于2023-05-09 21:08 被阅读0次
    fetch 3uex, struct, async=0
    
    remove solvent
    
    # set the B-factors nice and high for smoothness
    alter all, b=10
    alter all, q=1
    
    # 3.5 A map resolution
    set gaussian_resolution, 3.5
    
    # new gaussian map w/resolution=0.5 Ang
    # on just the main chain
    map_new map, gaussian, 0.5, n. C+O+N+CA, 5
    
    # create a surface from the map
    isosurface surf, map, 3.0
    
    # color the protein by number
    spectrum count, rainbow, struct
    
    # now color the map based on the underlying protein
    cmd.ramp_new("ramp", "struct", [0,10,10], [-1, -1, 0])
    
    # set the surface color
    cmd.set("surface_color", "ramp", "surf")
    
    # hide the ramp and lines
    disable ramp
    hide lines
    
    bg grey
    
    # soften out the image
    set light_count,8
    set spec_count,1
    set shininess, 10
    set specular, 0.075
    set ambient,0
    set direct,0
    set reflect, 0.85
    set ray_shadow_decay_factor, 0.1
    set ray_shadow_decay_range, 4
    
    unset depth_cue
    
    # ray trace the image
    orient
    ray
    
    image.png
    fetch 1eaz, async=0
    
    extract oo, org
    
    hide everything, solvent
    
    set field_of_view, 50
    
    preset.ball_and_stick("oo")
    
    set_bond stick_color, 0xffff44, oo
    
    set_bond stick_transparency, 0.35, oo
    
    color grey, oo and e. C
    
    set valence, 1, oo
    
    ramp_new pRamp, oo, selection=poly, range=[5,30], color=rainbow
    
    set surface_color, pRamp, poly
    
    show spheres, poly
    
    color white, poly
    
    color grey30, poly and e. C
    
    set sphere_scale, 0.99, poly
    
    set ray_transparency_contrast, 0.20
    
    set ray_transparency_oblique, 1.0
    
    set ray_transparency_oblique_power, 20
    
    show surface, poly
    
    set surface_quality, 2
    
    set light_count, 5
    
    set ambient_occlusion_mode, 1
    
    set ambient_occlusion_scale, 50
    
    set ambient, 0.40
    
    set transparency, 0.50
    
    disable pRamp
    
    set spec_power, 1200
    
    set spec_reflect, 0.20
    
    set ray_opaque_background, 0
    
    set ray_shadow, 0
    
    ray
    
    image.png

    Gallery - PyMOLWiki
    PyMOL绘图进阶 - 知乎 (zhihu.com)

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