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pymol的opengl CGO球体的画法

已有 4954 次阅读 2014-11-8 16:39 |系统分类:科研笔记

pymol怎么画球

需要的输入元素包括

必备元素

1球的中心点的坐标

2球的半斤

可选元素

1透明度ALPHA,0-1

2颜色rgb


脚本

sphere.py





################


from pymol.cgo import *
from pymol import cmd




spherelist = [
                                           #默认的颜色参数为白色
  SPHERE,   5.304,   0.407,   0.531,0.30,  #定义中心点的位置和球体半径的
   ]

cmd.load_cgo(spherelist, 'A_easy')

spherelist = [
  COLOR,    0.100,    1.000,    0.000,     #通过rgb设置颜色
  SPHERE,   1.304,   0.407,   0.531,0.30,
   ]

cmd.load_cgo(spherelist, 'A')




spherelist = [
  25.0,0.31,                #设置透明度,不建议使用25.0,建议使用变量CGO定义的变量ALPHA
  COLOR,    0.100,    1.000,    0.000,
  SPHERE,   1.304,   0.407,   0.531,1.30,
   ]

cmd.load_cgo(spherelist, 'A5')



spherelist = [
  ALPHA,0.21,                 #设置透明度的
  COLOR,    0.100,    1.000,    0.000,
  SPHERE,   3.304,   0.407,   0.531,0.50,
   ]

cmd.load_cgo(spherelist, 'A6')

spherelist = [

  COLOR,    1.000,    0.000,    0.000,
  SPHERE,   10.304,   0.407,   0.531,0.30,
   ]

cmd.load_cgo(spherelist, 'B')


spherelist = [
  COLOR,    0.100,    1.000,    0.000,
  SPHERE,   1.304,   0.407,   0.531,0.30,
  COLOR,    1.000,    0.000,    0.000,
  SPHERE,   10.304,   0.407,   0.531,0.30,
   ]

cmd.load_cgo(spherelist, 'AB')



#SPHERE,x,y,z,diameter
#segment the name of obj

#cmd.load_cgo(spherelist, 'segment',   0)




############CGO.py#############

#A* -------------------------------------------------------------------
#B* This file contains source code for the PyMOL computer program
#C* Copyright (c) Schrodinger, LLC.
#D* -------------------------------------------------------------------
#E* It is unlawful to modify or remove this copyright notice.
#F* -------------------------------------------------------------------
#G* Please see the accompanying LICENSE file for further information.
#H* -------------------------------------------------------------------
#I* Additional authors of this source file include:
#-*
#-*
#-*
#Z* -------------------------------------------------------------------

import string
from chempy import cpv
#import popen2
import os
from pymol import cmd
from cmd import DEFAULT_ERROR, DEFAULT_SUCCESS, _raising

POINTS             = 0.0
LINES              = 1.0
LINE_LOOP          = 2.0
LINE_STRIP         = 3.0
TRIANGLES          = 4.0
TRIANGLE_STRIP     = 5.0
TRIANGLE_FAN       = 6.0
#QUADS              = 7.0
#QUAD_STRIP         = 8.0
#POLYGON            = 9.0                                                            

STOP               =  0.0
NULL               =  1.0
BEGIN              =  2.0
END                =  3.0
VERTEX             =  4.0
NORMAL             =  5.0
COLOR              =  6.0
SPHERE             =  7.0
TRIANGLE           =  8.0
CYLINDER           =  9.0
LINEWIDTH          = 10.0
WIDTHSCALE         = 11.0
ENABLE             = 12.0
DISABLE            = 13.0
SAUSAGE            = 14.0
CUSTOM_CYLINDER    = 15.0
DOTWIDTH           = 16.0
ALPHA_TRIANGLE     = 17.0
ELLIPSOID          = 18.0

#SHAPE_VERTEX       = 16.0
#SHAPE_COLOR        = 17.0
#SHAPE_NORMAL       = 18.0

FONT               = 19.0
FONT_SCALE         = 20.0
FONT_VERTEX        = 21.0
FONT_AXES          = 22.0

CHAR               = 23.0

ALPHA              = 25.0
QUADRIC            = 26.0 # NOTE: Only works with ellipsoids and disks
CONE               = 27.0

LIGHTING           = float(0x0B50)



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