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创建一个pseudoatom, 这时候可以参考pymolwiki 上面的
http://www.pymolwiki.org/index.php/Pseudoatom
如果要创建一个 pseudoatoms object,
我推荐用这种方法
from pymol import cmd
from chempy import Atom, models
model = models.Indexed()
for x in range(20):
for y in range(20):
for z in range(20):
atom = Atom()
atom.coord = [x,y,z]
model.add_atom(atom)
cmd.load_model(model, 'fake')
当然,你也可以创建xyz 文件来间接实现。
# in PyMOL, start a python block python # no boding on load cmd.set("connect_mode", 1) # open a file f = open("fake.xyz", 'wb') # write a tiny header f.write("8000n"); f.write("FAKEn") # write the 20x20x20 box i=0 for x in range(20): for y in range(20): for z in range(20): f.write("Ct%ft%ft%fn" % (x,y,z)) f.close() # load the fake XYZ file cmd.load("fake.xyz") # end the python blockArchiver|手机版|科学网 ( 京ICP备07017567号-12 )
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