SEQCROW is an AaronTools-based plugin for UCSF ChimeraX, a cross-platform 3D molecular graphics program. SEQCROW extends ChimeraX by adding tools to build and modify complex molecular structures, map new catalysts and ligands onto previously-computed structures, and manage AaronTools libraries. These tools enable users to rapidly modify several structures simultaneously, providing an intuitive interface to build libraries of the complex molecular structures frequently encountered in modern quantum chemistry applications.

More information about SEQCROW features can be found on the GitHub wiki.

1. Install from the ChimeraX Toolshed
   • Tools → More Tools...
   • find and open the SEQCROW page
   • click 'Install'
2. Restart ChimeraX to get the new selectors under 'Select → Chemistry' and SEQCROW settings/preferences
3. If you have a personal AaronTools library already, you can specify the path to it in the SEQCROW settings. Open ChimeraX and go Favorites → Settings... → SEQCROW. You will have to restart ChimeraX if you change this setting.

If you use SEQCROW, please cite the following:

1. "QChASM: Quantum Chemistry Automation and Structure Manipulation" WIREs Comp. Mol. Sci. (in press, 2021)

2. SEQCROW, Anthony J. Schaefer and Steven E. Wheeler, University of Georgia (2020).

This is a plug-in for ChimeraX.

The Chimera version of SEQCROW (ChimAARON) can be found on the Chimera branch.

you are here

For the latest features and bugs, check out the dev branch

If you use SEQCROW, please cite the following:

1. "QChASM: Quantum Chemistry Automation and Structure Manipulation" WIREs Comp. Mol. Sci. (in press, 2021)

2. SEQCROW, Anthony J. Schaefer and Steven E. Wheeler, University of Georgia (2020).

If you have any questions, feel free to contact us at qchasm@uga.edu