Hi,
That sounds like APBS's psize.py is having trouble with your input data ..
you could try going to the "APBS Location" tab and deleting the path to
psize.py .. then it'll use my code instead.
For some reason, it's reading "1.00103.81" where it expects a floating
point number .. it's possible t
On Jul 16, 2004, at 1:41 PM, Michele Fuortes wrote:
I compiled APBS successfully.
Now when I try the plugin and click on Set Grid I get:
i was able to compile it on my macs as well (after installing the
fortran compiler). now, i just have to wait for the next version of
macpymol in order to
Hi,
I compiled APBS successfully.
Now when I try the plugin and click on Set Grid I get:
---
Error: 1
ValueError Exception in Tk callback
Function: at 0x81205f0> (type: )
Args: ()
Traceback (innermost last):
File
"/Users/delwarl/pymol/products/PyMOLX11Hybrid.app/py23/lib/python2.3/Pmw/Pmw_
Dan,
Yes, those files aren't really valid PDBs, but you can probably
solve this by assigning a distinct chain to the waters and rebuilding:
alter hoh/, chain='X'
sort
Cheers,
Warren
--
mailto:war...@delsci.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)
This strategy seems to work for Mandrake 9.1 too, BTW.
Daniel
On Thu, 2004-07-15 at 11:26, Marc Saric wrote:
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> | Hi all,
> |
> | APBS (http://agave.wustl.edu/apbs/) is a package that allows you to
> | perform very fast, accurate electrostatics
Hi
It looks to me as if there is a glitch in the sequence viewer for some
PDB files like 4PFK. The symptom is that waters get mixed up among the
protein sequences as in the snapshot here
http://pcwww.liv.ac.uk/~drigden/dross.png
If you write the structure out again you get things like this
ATO
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~ wrote:
| 1) Does APBS take a lot of memory?
|
| APBS can certainly take a lot of memory. In addition, my plugin sets up a
| grid that's a little finer than the APBS default (more grid points ==
| better calculation, but more memory). You can poi
Hi Jianghai et al:
Hopefully these will make someone's life easier:
Here is an info file for maloc:
http://www.chemistry.ucsc.edu/%7Ewgscott/fink/info/maloc.info
Drop this into /sw/fink/dists/local/main/finkinfo and issue fink
install maloc
Here is one for apbs:
http://www.chemistry.
