Thank you so much Tsejrk and Seera for your kind help!!
Thomas replied. He said that I can load the .gro files too by giving a
command on the terminal.
PyMOL> cd your/working/directory
PyMOL> load file.gro
It worked!!
Thank you so much, once again. I'm sharing his reply here so that in case
any
The code threw up a syntax error for me and I don’t know enough python to
figure out why, but the CIF approach worked well, thanks very much!
On 22 Sep 2015, at 15:40, Thomas Holder
mailto:thomas.hol...@schrodinger.com>> wrote:
Hi Suzanne & Tsjerk,
To get those points in as pseudoatoms, you c
Hi Suzanne & Tsjerk,
To get those points in as pseudoatoms, you could also simply place a CIF atom
site header above the data and load it as a .cif file.
data_foo
loop_
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.ignore_size_a
_atom_site.ignore_size_b
_atom_site.ignore
Hi Suzanne,
I'll make the guess that it's position and color. Are there any lines to be
ignored? Probably this will work anyway... Save this in a script called
holecgo.py:
def holecgo(filename,radius=0.1,name="hole"):
data = [ i.split() for i in open(filename) ]
data = [ [ float(i) for i
