Hi everyone,
I have been scratching my head quite a bit on this one, I am sure there
must be a simple solution but I can't seem to figure it out.
In short, I would like to record the spacial coordinates of a protein so
that when I run my script I can fetch it from the PDB and place it exactly
where I would like it to be.
I used this command to obtain the coordinates, and here is the output I get:
PyMOL>print cmd.get_coords('prot')
[[159.402 258.709 204.556]
[159.932 259.514 204.223]
[158.951 258.206 203.792]
...
[117.662 263.108 309.314]
[115.591 265.038 307.88 ]
[116.386 259.713 306.195]]
To load the position in my script I know that I should be able to use the
following command however I can not figure out the format required:
cmd.load_coords(coordinates, 'prot')
I tried to use all the floats the ones after the other like [1.1, 2.2,
3.3,...] and I was close to making it work, but it said the numbers of
atoms did not match. I read that I should probably used a numpy array but I
am not sure of its format.
Your help would be much appreciated,
Many thanks
Ben
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