[Chimera-users] Values at Atom Oositions

[Hernando J Sosa]

Thanks Elaine, and it would be possible to save the resulting attributes to a file within the script without using the GUI? Something like:
measure mapValues  map-model  atom-spec  <my_att_name> 
saveattributes2file <my_att_name> <my_file>

OR
measure mapValues  map-model  atom-spec  <outfilename> 

Thanks again

Hernando.



Hernando Sosa
Dept. of Physiology and Biophysics 
Albert Einstein College of Medicine 
1300 Morris Park Av. 
Bronx NY 10461 
phone (718) 430-3456 
FAX (718) 430-8819 
email hernando.sosa at einstein.yu.edu

-----Original Message-----
From: Elaine Meng [mailto:meng at cgl.ucsf.edu] 
Sent: Monday, November 19, 2018 1:28 PM
To: Hernando J Sosa
Cc: chimera-users at cgl.ucsf.edu
Subject: Re: [Chimera-users] Values at Atom Oositions

Dear Hernando,
Yes, the command version of “Values at Atom Positions” is “measure Mapvalues”:

<https://na01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.rbvi.ucsf.edu%2Fchimera%2Fdocs%2FUsersGuide%2Fmidas%2Fmeasure.html%23mapValues&data=02%7C01%7Chernando.sosa%40einstein.yu.edu%7Cf37f61452f9e4e0509d008d64e4ccf53%7C04c70eb48f2648079934e02e89266ad0%7C1%7C1%7C636782489133107236&sdata=gtHkSuM3CdjKaXCE%2FBX5LU0htZy6DNOkLyBcmYTnzYE%3D&reserved=0>

Then you could use “rangecolor” to color atoms etc. by the attribute values, or specify/select the atoms by attribute value in other commands, etc.

<https://na01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.rbvi.ucsf.edu%2Fchimera%2Fdocs%2FUsersGuide%2Fmidas%2Frangecolor.html&data=02%7C01%7Chernando.sosa%40einstein.yu.edu%7Cf37f61452f9e4e0509d008d64e4ccf53%7C04c70eb48f2648079934e02e89266ad0%7C1%7C1%7C636782489133107236&sdata=TmCWWQIyfYfA36mfb%2F0ypycehhnsu4gmNPmvyp767Lo%3D&reserved=0>
<https://na01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.rbvi.ucsf.edu%2Fchimera%2Fdocs%2FUsersGuide%2Fmidas%2Fatom_spec.html%23descriptors&data=02%7C01%7Chernando.sosa%40einstein.yu.edu%7Cf37f61452f9e4e0509d008d64e4ccf53%7C04c70eb48f2648079934e02e89266ad0%7C1%7C1%7C636782489133107236&sdata=PcUX27BWvnWVDK1caA9SrqoUteoSxd%2FZkbehJXyMe5M%3D&reserved=0>
<https://na01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.rbvi.ucsf.edu%2Fchimera%2Fdocs%2FContributedSoftware%2Fdefineattrib%2Fdefineattrib.html%23attribdef&data=02%7C01%7Chernando.sosa%40einstein.yu.edu%7Cf37f61452f9e4e0509d008d64e4ccf53%7C04c70eb48f2648079934e02e89266ad0%7C1%7C1%7C636782489133107236&sdata=IPptgLhqptCNJmE0mpruwGxD6dE2bcvBmLh0YfHAdTM%3D&reserved=0>

I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco

> On Nov 19, 2018, at 5:57 AM, Hernando J Sosa <hernando.sosa at einstein.yu.edu> wrote:
> 
> Dear Chimera,
> Is there a command or a way to use the function "Values at Atom Positions" within a script. 
> Thanks
> Hernando