On Jun 22, 2004, at 19:29, Konrad Hinsen wrote:
So now I am trying chempy.brick. I just installed NumPy into the
internal Python (business as usual). However, while I can generate
bricks, any isomesh I make from
After recompiling PyMOL, it works fine. Who needs weird file formats
when one ca
On Tue, 22 Jun 2004, Konrad Hinsen wrote:
> Bad news. My map has a grid spacing of 2 angstrom, I need better
> resolution than that for placing it.
>
> So now I am trying chempy.brick.
If you're using the CVS version of PyMOL, you might try DX multigrid
formatted files. You can find some brief d
On Jun 22, 2004, at 16:52, Warren DeLano wrote:
Using crystallographic formats like XPLOR for generic volume
visualization is tricky because ultimately the map must be aligned on
a grid
which passes through the origin. In other words, the grid spacing must
Bad news. My map has a gri
lto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of
> Konrad Hinsen
> Sent: Tuesday, June 22, 2004 3:58 AM
> To:
>
> Subject: Re: [PyMOL] Electronic density maps
>
> On Jun 22, 2004, at 11:41, Konrad Hinsen wrote:
>
> > I'll see if I can get CCP4 format
On Jun 22, 2004, at 11:41, Konrad Hinsen wrote:
I'll see if I can get CCP4 format to work in a reasonable amount of
time...
Actually I went for XPlor in the end, after getting a useful hint:
http://cns.csb.yale.edu/v1.1/tutorial/text.html
Problem: the XPlor format does not specify th
On Jun 21, 2004, at 17:36, Warren DeLano wrote:
Konrad,
There are several options for loading map data into PyMOL now:
XPLOR (format=xplor)
CCP4 (format=ccpy)
O/BRIX (format=brix)
Good to know! At least the CCP4 one is documented, but being a binary
format, it's a bit of a pain to use.
Y
incipal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net
> [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of
> Konrad Hinsen
> Sent: Monday, June 21, 2004 7:10 AM
>
I am trying to visualize electronic densities that I prepare in my own
code. This means that I have to write them in XPlor format in order to
load them into PyMOL. Is there anywhere a detailed description of that
format, preferably with some example files? The best I could find is a
summary.
