APBS: Difference between revisions
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===Installing the Dependencies on Linux=== | ===Installing the Dependencies on Linux=== | ||
==== | ====RPMs==== | ||
A variety of RPMs are available from the [http://sourceforge.net/project/showfiles.php?group_id=148472&package_id=163734&release_id=378273 APBS downloads website] | |||
More edits needed. | |||
====Debian packages==== | |||
For ubuntu and other debian linux distributions, probably the simplest thing is to download a promising looking rpm, convert it with the program [http://kitenet.net/programs/alien/ alien], and then install the newly generated debian package with the command | |||
sudo dpkg -i apbs*.deb | |||
=More edits needed.== | |||
Revision as of 02:34, 15 February 2006
Introduction
PyMol currently supports the APBS plugin. See Michael Lerner's Page for more details.
Required Dependencies
APBS and its dependencies like pdb2pqr and maloc are freely available under the GPL. The author of the software however asks that users register with him to aid him in obtaining grant funding.
Installing the Dependencies on OS X
- First, register your use of the software. This will keep everyone happy.
- Second, if you don't already have the fink package management system, now is a good time to get it. Here is a quick-start set of instructions for getting X-windows, compilers, and fink all installed.
- Once you are up and going, activate the unstable branch in fink, and then issue the commands
fink self-update fink install apbs
or if you want to use the multi-processor version, issue
fink self-update fink install apbs
Then install the X-windows based version of pymol using the command
fink install pymol-py24
Note that the fink version of pymol already has the latest version of the APBS plugin. You are set to go!
Further details, as well as screen shots, are given elsewhere in this wiki.
Installing the Dependencies on Linux
RPMs
A variety of RPMs are available from the APBS downloads website
Debian packages
For ubuntu and other debian linux distributions, probably the simplest thing is to download a promising looking rpm, convert it with the program alien, and then install the newly generated debian package with the command
sudo dpkg -i apbs*.deb