Re: [PyMOL] Electronic density maps

[Konrad H. <hi...@cn...>]

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.

> You can also bypass the file entirely and load an orthogonal "ChemPy 
> brick"
> into PyMOL via NumPy.  Example code for this can be found in

That sounds a lot better!

> examples/devel/brick01.py.  Note that you must use a PyMOL build that
> included numeric Python in order for this to work (the RPMs and Linux
> binaries do not have it, so you may need to build from source using the
> _PYMOL_NUMPY define).  There's also a "ChemPy Map" approach, which 
> expects
> opaque packed C float data.

Well... My choice is PyMOL 0.86 under Linux with NumPy (but 0.86 
doesn't seem to have the ChemPy Brick stuff yet), or 0.95 under MacOS 
(the hybrid build, without NumPy). So I am out of luck... and I can't 
mess around with installations at the moment.

I'll see if I can get CCP4 format to work in a reasonable amount of 
time...

<rant>
Why can't the crystallography community agree on one file format and 
document it properly?
</rant>

Konrad.