[PyMOL] PQR Display in PyMOL

2011-10-12 Thread Martin Hediger
Dear List
I have the below model of three charged atoms (as a PQR file).
ATOM  1C ASP A   0.0 0.010.0   -2.0  4.0
ATOM  2C ASP A   0.0 0.0 0.0   -2.0  4.0
ATOM  3C ASP A   0.0 0.0   -10.02.0  4.0

The last two numbers are the charge and the radius, it's supposed to be 
in pqr format.
Can PyMOL display the negative atoms blue and the positive one red (or 
the other way around)?

Thanks for any help.
Martin

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Re: [PyMOL] PQR Display in PyMOL

2011-10-12 Thread Tsjerk Wassenaar
Hi Martin,

You can use b and q as selection keywords (help selections):

color red, b  0
color blue, b  0

Or you can use 'spectrum' (help spectrum):

spectrum b, red_white_blue

Hope it helps,

Tsjerk

On Oct 13, 2011 12:58 AM, Martin Hediger ma@bluewin.ch wrote:

Dear List
I have the below model of three charged atoms (as a PQR file).
ATOM  1C ASP A   0.0 0.010.0   -2.0  4.0
ATOM  2C ASP A   0.0 0.0 0.0   -2.0  4.0
ATOM  3C ASP A   0.0 0.0   -10.02.0  4.0

The last two numbers are the charge and the radius, it's supposed to be
in pqr format.
Can PyMOL display the negative atoms blue and the positive one red (or
the other way around)?

Thanks for any help.
Martin

--
All the data continuously generated in your IT infrastructure contains a
definitive record of customers, application performance, security
threats, fraudulent activity and more. Splunk takes this data and makes
sense of it. Business sense. IT sense. Common sense.
http://p.sf.net/sfu/splunk-d2d-oct
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--
All the data continuously generated in your IT infrastructure contains a
definitive record of customers, application performance, security
threats, fraudulent activity and more. Splunk takes this data and makes
sense of it. Business sense. IT sense. Common sense.
http://p.sf.net/sfu/splunk-d2d-oct___
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