Hi,
I’m trying to use the pandas library with MacPymol 1.7.05 but get the following
with import pandas.
File "/Library/Python/2.7/site-packages/pandas/__init__.py", line 6, in
<module>
from . import hashtable, tslib, lib
File "numpy.pxd", line 157, in init pandas.hashtable
(pandas/hashtable.c:22315)
ValueError: numpy.dtype has the wrong size, try recompiling
Obviously there is some conflict with PyMOLs python interpreter and the
interpreter I installed pandas with. That’s fine, I’ll just compile pandas
against PyMOLs python library, but I don’t know how to do it.
I used pip within pymol
python
import pip
pip.main([‘install’,’pandas’,’—reinstall’])
python end
but got something wrong with the certificate in the pypy server
/Applications/MacPyMOL.app/Contents/MacOS/MacPyMOL run on Sun Jun 21 18:35:15
2015
Getting page https://pypi.python.org/simple/pandas/
Could not fetch URL https://pypi.python.org/simple/pandas/: connection error:
[Errno 1] _ssl.c:504: error:14090086:SSL
routines:SSL3_GET_SERVER_CERTIFICATE:certificate verify failed
. I thought before I dug too deep, I would check with the list to see if anyone
has added the pandas library that is compatible with pymol. Or more generally,
how would one install third party libraries for use with pymol. If you don’t
use pandas, I highly recommend it. It’s incredibly useful for manipulating data
and it would be very handy to have with pymol scrips.
Jordan------------------------------------------------------------------------------
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