Linux Install

From PyMOLWiki
Jump to: navigation, search

This page describes how to install PyMOL on Linux.

Incentive PyMOL

Schrödinger provides pre-compiled (64 bit) PyMOL to paying sponsors. The bundle also includes ready-to-use APBS, RigiMOL, an MPEG encoder for movie export, and a small molecule energy minimization engine.

Download: http://pymol.org/download

Open-Source PyMOL in Linux Distros

Many Linux distributions provide binary packages for open-source PyMOL. They often do not provide the latest version, but if the provided package fits your needs this is the most convenient way to install PyMOL.

Command line install examples for some popular distributions (note that all of these commands must be run as root or superuser):

# Arch/Manjaro
pacman -S pymol

# CentOS with EPEL
rpm -i http://download.fedoraproject.org/pub/epel/6/i386/epel-release-6-5.noarch.rpm
yum --enablerepo=epel install pymol

# Debian/Ubuntu/Mint
apt-get install pymol

# Fedora
dnf install pymol

# Gentoo
emerge -av pymol

# openSUSE (12.1 and later)
zypper install pymol

# Sabayon
equo i -av pymol

Install from source

Installation from source gives you the latest version and is the generic way to install PyMOL.

Requirements

Libraries as well as development files (headers) of the following software is required:

  • Subversion to download the source code
  • Python (with distutils)
  • Pmw (Python Megawidgets)
  • OpenGL driver (I use NVidia)
  • libpng
  • freetype
  • libxml2

On many Linux systems, one of the following commands installs all requirements (and must be run as root):

# Debian/Ubuntu/Mint
apt-get install subversion build-essential python-dev python-pmw libglew-dev \
  freeglut3-dev libpng-dev libfreetype6-dev libxml2-dev

# CentOS
yum install subversion gcc gcc-c++ kernel-devel python-devel tkinter python-pmw glew-devel \
  freeglut-devel libpng-devel freetype-devel libxml2-devel

# Fedora
dnf install subversion gcc gcc-c++ kernel-devel python-devel tkinter python-pmw glew-devel \
  freeglut-devel libpng-devel freetype-devel libxml2-devel

# Gentoo
emerge -av dev-vcs/subversion dev-lang/python dev-python/pmw media-libs/glew \
  media-libs/freeglut media-libs/libpng media-libs/freetype

# openSUSE
zypper install python-devel freeglut-devel gcc-c++ glew-devel libpng-devel python-pmw subversion

# Sabayon
equo i -av dev-vcs/subversion dev-lang/python dev-python/pmw media-libs/glew \
  media-libs/freeglut media-libs/libpng media-libs/freetype

Get latest source from SVN

This will download the latest source to /tmp/pymol:

cd /tmp
svn co svn://svn.code.sf.net/p/pymol/code/trunk/pymol
cd pymol

Troubleshooting: Connection refused...

If the above address is not available, giving an error such as

Connection refused: Unable to connect to a repository at URL 'svn://svn.code.sf.net/p/pymol/code/trunk/pymol': Can't connect to host 'svn.code.sf.net': Connection refused...

you can try using http:// instead of svn:// in the URL.

Compile and install

This will install PyMOL as normal user into /opt/pymol-svn. If you don't have write permissions to /opt, change the prefix variable to something like $HOME/pymol-svn.

#!/bin/bash -e

prefix=/opt/pymol-svn
modules=$prefix/modules

# If you want to install as root, then split this line up in "build"
# and "install" and run the "install" with "sudo"
python2.7 setup.py build install \
    --home=$prefix \
    --install-lib=$modules \
    --install-scripts=$prefix

Now launch PyMOL like this:

/opt/pymol-svn/pymol

Optionally, in order to allow running the command pymol from the terminal to launch the program do:

sudo ln -s /opt/pymol-svn/pymol /usr/bin/pymol

Updating

To update the installation merely run:

sudo rm -r /opt/pymol-svn/pymol
rm -r /tmp/pymol

and redo the installation from the beginning with the latest release.

Troubleshooting

  • On Linux Mint 11 there have been reports of gcc-4.5 breaking Pymol. You could use gcc-4.4 instead. (reported by User:Tlinnet)
sudo apt-get install build-essential gcc-4.4 g++-4.4
export CC=/usr/bin/gcc-4.4
  • If you get an error message "ImportError: No module named Pmw" and lack half of the user interface, then append --bundled-pmw to the install command line.
  • If you are using Ubuntu with a NVIDIA graphic card and generic drivers you may experience bad rendering, black pixelation and other graphical oddities. A guide to installing NVIDIA proprietary drivers can be found under Ubuntu community Nvidia Drivers How To

Customized Installations