AutoSite is a part of the ADFRsuite.

Downloads Title

Version 1.0 rc1

Release Candidate version 1 of the ADFRsuite version 1.0 contains:

  • ADFR v1.2 and associate scripts
  • AGFR v1.2
  • AutoSite v1.0 and v1.1
  • ADCP v1.0 (linux and Mac only)
  • AutoGrid4.2
  • prepare_ligand
  • prepare_receptor
Platform installer installation mechanism
ADFRsuite 1.0 Linux 64 installer app chmod a+x ADFRsuite_Linux-x867_64_1.0_install.run

./ADFRsuite_Linux-x867_64_1.0_install.run
ADFRsuite 1.0 Linux 64 tarball installer See INSTALLING FROM TARBALL below
ADFRsuite 1.0 Mac OSX tarball installer See INSTALLING FROM TARBALL below

INSTALLATION NOTES:

  • The Commercial installation will NOT install the MSMS component for computing molecular surface. For a license to use MSMS in a commercial setting please contact Dr. M Sanner sanner at scripps.edu. All current tools of the software suite are fully functional in both installations.
  • The default installation location is ~/ADFRsuite-1.0. If your home folder is not on a local disk we recommend changing the installation destination to a folder located on a local disk for better performances.
  • ADFRsuite provides a fully fledged Python interpreter (v2.7) that will be installed in the ADFRsuite-1.0 folder. This Python interpreter is insulated from, and will not interfere with, the default python interpreter on your computer. It can be invoked using ADFRsuite-1.0/bin/pythonsh.

INSTALLING FROM TARBALL:

# this example is for the Mac OS X tar file but applies to any of the tarfiles, Simply change the tar file and folder names

# unpack the tar file

tar zxvf ADFRsuite_x86_64Darwin_1.0.tar.gz

# step into the folder created by the unpacking step

cd ADFRsuite_x86_64Darwin_1.0

# run the installing script

# -s destinationFolder specified where to install the ADFR1,0 software suite

# -c specifies how to compile the pyhon files. use 0 for .pyc or 1 for .pyo

./install.sh -d myFolder -c 0