Linux Quickstart Guide
This topic describes how to install Schrödinger’s Release 2026-1 software for use on a single
If you run into issues, see Installation Details for Linux.
There are four steps to get started using Schrödinger software:
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Download the software on the machine you will be using the software.
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You will need a Schrödinger account. This grants access to software downloads, documentation, training, webinars, and more.
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You will need a license. If you do not have a license, you can request a trial license here or access the software in Online Certification Courses.
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Install the software:
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Configure Licensing: See Schrödinger License Manager Instructions.
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Configure Job Settings: See Running Schrödinger Jobs.
Install the software
| 1. | Extract the tar file: |
tar -xvf Schrodinger_Internet_Download.tar
| 2. | Change to the top-level directory of the download: |
cd Schrodinger_Internet_Download
| 3. | Run the install script: |
sh ./INSTALL
| 4. | Enter the information requested by the INSTALL script. |
The installation directory must not contain a previous Schrödinger software release. The directory is created if it does not exist. You must have permission to create or write to the chosen directory. See Installation Details for Linux for details.
| 5. | Set the SCHRODINGER environment variable to the installation directory: |
bash: export SCHRODINGER=installdir
csh/tcsh: setenv SCHRODINGER installdir
| 6. | Set the SCHRODINGER_PYTHONPATH environment variable if PYTHONPATH is defined: |
bash: export SCHRODINGER_PYTHONPATH=""
csh/tcsh: setenv SCHRODINGER_PYTHONPATH
Setting up access to remote hosts
| 1. | Edit the file $SCHRODINGER/schrodinger.hosts and add entries for all hosts or batch queues on which the software will be run. Do not remove the localhost entry. |
See The Hosts File and Preparing for Batch Queue Submission for details. The minimum required for a host entry is
name: hostname
| 2. | Set up passwordless ssh access between all hosts on which the software will be run, if you have not done this previously. |
See Setting Up Access to Remote Hosts for details.
| 3. | Perform any necessary cluster configuration (see Configuring Clusters). |
Checking the installation
| 1. | Run the installation_check utility, which runs checks on all hosts in the hosts file, and reports the results. |
$SCHRODINGER/installation_check
| 2. | Start Maestro to ensure that it is correctly installed and licensed. |
$SCHRODINGER/maestro &