Hello everyone
It seems to be a problem with loading an .xyz file as a chempy model.
For example doing
from chempy import io
m = io.xyz.fromFile("some.xyz")
gives:
chempy: reading "some.xyz".
Traceback (most recent call last):
File "<stdin>", line 1, in ?
File "/home/dmitriy/pymol/lib/python2.4/site-packages/chempy/__init__.py",
line 185, in fromFile
TypeError: fromList() takes exactly 1 argument (2 given)
If I've got the right idea whats going on, there should be
fromList(self,list) function in xyz.py which will hide the Storage one.
Like it's done in pdb.py (it works fine for io.pdb.fromFile)
I'm trying to establish a communication between my program and pymol in a
simple .xyz format. Sending a list of strings, creating a chempy model and
loading it into pymol will work. If there is some workaround or a fix for
problem mention above.
Warren, Is it possible to implement a way of passing .xyz file as a string,
not as a list of strings or a file? I've seen molstr, pdbstr etc. but not
xyzstr.
And a short description how to load pdbstr for example it in this way will be
great.
Thanks
Dmitriy
