[PyMOL] MacPyMOL fink download

2015-01-19 Thread Lau Sze Yi (SIgN)
Hi, Since my edu copy failed after I upgrade to yosemite. I have downloaded pymol on my iMac 10.10.1 following the fink for 10.10 instructions on scottslab web: http://scottlab.ucsc.edu/~wgscott/xtal/wiki/index.php/Fink_for_10.10 After setting up fink, I ran sudo apt-get install pymol-py27. I am

Re: [PyMOL] MacPyMOL fink download

2015-01-19 Thread Jordan Willis
Hi Lau, If you install from command line, it will most likely install to /usr/local/bin/. The problem is, your icons probably link to the app you uninstalled. I would try to find the /usr/local/bin/pymol in your finder window, then drag the binary to your desktop in you want an icon. If you

Re: [PyMOL] MacPyMOL fink download

2015-01-19 Thread David Hall
(2) assuming you didn't change it when installing fink, fink will install pymol in the /sw/bin directory. (4) this is fink setting environment variables such as PATH. You can add a line to your .bashrc to source it so it will be sourced every time you open a terminal. On Mon, Jan 19, 2015 at

Re: [PyMOL] MacPyMOL fink download

2015-01-19 Thread Thomas Holder
Hi everyone, On 19 Jan 2015, at 03:30, Jordan Willis jwillis0...@gmail.com wrote: [...] If you really want a fresh install I would delete all the pymol directories in your computer with a find command like, and run a fresh install... sudo cd / ; find . -name “*pymol* -exec rm -rf {} \;

Re: [PyMOL] How to determine distance of matching atoms in aligned nonidentical structures?

2015-01-19 Thread Shane Caldwell
Hi Carsten, This sounds like a non-trivial problem, my understanding is that it's still an ongoing challenge to best align dissimilar structures. Other ways of aligning structures involves using the vectors from secondary structure elements, or feeding in (multiple) sequence alignments. All have

Re: [PyMOL] How to determine distance of matching atoms in aligned nonidentical structures?

2015-01-19 Thread Schubert, Carsten [JRDUS]
Yep, that was it and will take care of most of the issues I encountered. Just stumbled upon colorbyrmsd.py, which contained that function a couple of minutes ago as well. Thanks for all the suggestions and pointers! Cheers, Carsten -Original Message- From: Thomas Holder

Re: [PyMOL] How to determine distance of matching atoms in aligned nonidentical structures?

2015-01-19 Thread Thomas Holder
Hi Carsten Shane, I assume Carsten is looking for cmd.get_raw_alignment(). Recent versions of PyMOL can create an alignment object with all alignment commands (align, super, cealign). get_raw_alignment returns the (model, index) keys for all pairs.