This page was last updated on June 11th, 2019 at 08:15 pm
ADCP is a part of ADFRsuite and is available on Linux and MacOS.
ADFRsuite contains everything you need to set up a docking experiment for ligands and peptides.
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
- 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