HARLEM  (HAmiltonians for Research of LargE Molecules)

HARLEM is a modular molecular modeling and analysis program with .
with a cross-platform GUI. It is interfaced to major molecular modeling engines, such as AMBER, GROMACS and Gaussian. 

HARLEM recognizes a range of molecular formats: PDB, XYZ, MOL2, HIN

Python is used for scripting and extensibility. 


HARLEM is available for UNIX and WINDOWS operating systems.

The program is is distributed under the open software license

Source code of HARLEM is hosted at GITLAB

Download and Install HARLEM for Windows and above

  • A short manual for HARLEM front end is found here

  • Doxygen documentation found here


 

Department of Chemistry, Carnegie Mellon University  https://www.chem.cmu.edu
Computational Biology Department, Carnegie Mellon University  http://www.cbd.cmu.edu
Joint CMU-Pitt Ph.D. Program in Computational Biology  http://www.compbio.cmu.edu/
Joint CMU-Pitt Ph.D. Program in Molecular Biophysics and Structural Biology  http://www.mbsb.pitt.edu
Computational and Systems Biology Department, University of Pittsburgh School of Medicine https://www.csb.pitt.edu/

HEME transfer

Hb to NEAT domain HEME transfer

TRPV6 channel

Calcium Ion Channel

AMPA receptor dynamical allostery and gating mechanisms

Gating and mechanisms of channel activation and deactivation

NMDA receptor transmembrane domain structure and function

Mechanism of divalent ion selectivity - Mechanism of transmembrane domain (TMD) pore opening