a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.
a Python package for generating synthetic datasets of the cellular context for Cryo-Electron Tomography.
is a protein design model for generating sequences from protein structures and predicting the energetic effects of mutations. It supports sequence optimization for stability and binding affinity, deep mutational scanning, and common ProteinMPNN-style design constraints.
an analysis program for chemical exchange detected by NMR.
is a tool for computing crystallographic difference maps that specializes in robust identification of weak signals from minor populations such as bound ligands or time-resolved experimental changes.
(Particle Estimation for Electron Tomography) a package for aligning and averaging particles in 3-D subvolumes extracted from tomograms. If PEET and IMOD are both installed, most PEET operations are available from the eTomo graphical user interface in IMOD. PEET is written in Matlab and a compiled version is distributed along with the Matlab runtime environment needed to run it.
(enhanced macromolecular classification and alignment for high-resolution in situ tomography) a GPU-accelerated image processing software for high-resolution cryo-electron tomography and subtomogram averaging and classification.
(Python-based Hierarchical Environment for INtegrated Xtallography) a software suite for the automated determination of molecular structures using X-ray crystallography and other methods.
