[PyMOL] Re: invoking pymol the unix way on os x

2006-02-24 Thread William Scott
You can call the executable inside an application and it will work in the 
normal unix way, eg


/Applications/MacPyMOL.app/Contents/MacOS/MacPyMOL

You might want to make an alias or a function or a symbolic link like

alias pymol=/Applications/Xtal/MacPyMOL.app/Contents/MacOS/MacPyMOL

or

pymol() { /Applications/Xtal/MacPyMOL.app/Contents/MacOS/MacPyMOL "$@" ; }

or

ln -s  /Applications/Xtal/MacPyMOL.app/Contents/MacOS/MacPyMOL 
/usr/local/bin/pymol



more here, on the wiki:

http://www.pymolwiki.org/index.php/Launching_PyMOL#MacOS_X:


HTH,

Bill




From: "Andrew Wollacott" 
To: pymol-users@lists.sourceforge.net
Subject: [PyMOL] running macpymol in the background from the terminal

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hello,

I'm running MacPyMol 0.99.  I typically open pymol from the terminal (
terminal.app) using the "open" command.


open test.pdb


I have .pdb files set to open with MacPyMol, so graphicConverter doesn't
open when I do this.  The problem I have when doing this is that when
entering the "pwd" command into pymol, I get the following:

PyMOL> pwd
/

so pymol thinks it's running from the root directory.  This makes it tough
for me to load more pdbfiles into pymol using the "load" command as I must
first "cd" into the directory with pymol.  Just a note, that in version 0.9=
8,
using the "open" command, pymol would recognize what directory it was opene=
d
from.

Now, I can use the "pymol test.pdb" to open pdbfiles, but then the terminal
gets the output from pymol.  I've tried to run pymol in the background so
that I can continue to use this terminal window while stilll having pymol
open.  Using "pymol test.pdb &" I still get pymol output to the terminal.  =
I
could use "pymol test.pdb >& /dev/null &" but that seems quite a bit more
verbose compared to "open test.pdb"

I guess I could alias pymol to essentially pipe it's output to /dev/null bu=
t
since version 0.98 worked fine, I was wondering if anyone has a workaround
for this inconvenience.

Thanks.

- Andrew Wollacott




[PyMOL] align/fit

2006-02-24 Thread Enrico Malito

Hi all,
I'm using macPyMOL 0.99rc1 and found very useful the commands  
align&pair_fit to do superposition. I'm just wondering which specific  
algorithm they use, if somebody never used them to do superposition  
of Ca trace for publications, and if there is a specific reference to  
them.

Thanks in advance,
Enrico.

--
Enrico Malito
Dept. of Biochemistry and Molecular Genetics
University of Illinois at Chicago
900 S. Ashland Ave.
Molecular Biology Research Building, Room 1116
Chicago, IL 60607 - U.S.A.
Tel (312) 996-6299
Fax (312) 355-4535