AutoDock / MGLTools

Availability

The cluster has both AutoDock3 and AutoDock4 installed. The cluster also has MGLTools 1.4.4 and 1.4.5 installed.

AutoDock notes

AutoDock 3 and 4 can work separately at the same time, as the executable names are different.
By default, both will be loaded in your $PATH.

MGLTools notes

MGLTools 1.4.4 and 1.4.5 have the same executable names, so you can have only one of these versions at a time in your path.
By default, MGLTools 1.4.4 will be available in your path.
To load MGLTools 1.4.5, please do:

module unload adt
module load adt-1.4.5

Need Help?

For technical assistance with other research software, email software@bmi.cchmc.org. For basic desktop support or assistance with clinical information systems, call the Cincinnati Children's Service Desk, 513-636-4100, or visit the Information Services CenterLink site. UC employees should call the UCit Help Desk, 513-556-HELP.

A note about UCit software

UC researchers are served with desktop software by UCIT. In many cases this software is licensed specifically to UC employees only (i.e., people who receive paychecks from UC) or must be run on UC-owned or controlled equipment, making it inaccessible to Cincinnati Children's personnel. Please make sure you read the license agreement carefully before you use UC software.

Faculty and students of UC are eligible to purchase software from UC. However, when purchasing from UC, the license agreement states that the software can be installed only on your personally owned or UC-owned computer and not on machines owned by other institutions. Since Children’s Hospital is a separate entity from UC, installing software purchased from UC on CCHMC owned computers is a violation of that license agreement. There is a difference in the price of software purchased from Biomedical Informatics at Children’s Hospital versus from the UC Bookstore. This difference is because UC qualifies for the educational discount whereas Children’s Hospital does not. Although Cincinnati Children’s Hospital is affiliated with UC, we are not a degree granting institution. We are a hospital, therefore we only qualify for the healthcare/non-profit discount.