The Protein Preparation Wizard allows you to take a protein from its raw state,
(which may be missing hydrogen atoms and have incorrect bond order assignments, charge
states, or orientations of various groups) to a state in which it is properly prepared for calculations
using Schrödinger products such as Glide, Prime, QSite, Liaison, and MacroModel.
Note: Distributed jobs can only be carried out if input is Maestro type, please enter the number of jobs to run on the specified host and number of processors.
You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.
To use this node in KNIME, install the extension Schrödinger Extensions for KNIME from the below update site following our NodePit Product and Node Installation Guide:
A zipped version of the software site can be downloaded here.
Do you have feedback, questions, comments about NodePit, want to support this platform, or want your own nodes or workflows listed here as well? Do you think, the search results could be improved or something is missing? Then please get in touch! Alternatively, you can send us an email to firstname.lastname@example.org, follow @NodePit on Twitter, or chat on Gitter!
Please note that this is only about NodePit. We do not provide general support for KNIME — please use the KNIME forums instead.