ehb54 / jssse

javascript pdb editor
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JSSSE home

javascript sequence structure editor

abstract

The goal of this project is to develop a javascript based editor of information obtained in protein data bank (pdb) files with respect to improve the building of initial structures that are compatible with modern molecular simulation programs. SASSIE-web is a scientific gateway to enable researchers to build structures, perform Monte Carlo and molecular dynamics simulations, calculate neutron and x-ray small-angle scattering and reflectivity data on a wide variety of soft-matter systems (https://sassie-web.chem.utk.edu/sassie2/). SASSIE-web is built using the GenApp technology for scientific gateways (https://genapp.rocks). We are working on new Javascript based user input capabilities to describe molecular systems graphically from structural data files. These user inputs would dramatically and fundamentally improve the user experience and broaden the number of potential users to our gateway. This will require usage of GenApp, Javascript, HTML5. The software that is generated will be available to all applications developed using the GenApp technology and will also be made publicly available as a stand-alone component. We believe others in science gateways related to biological structural community might find this new tool useful.

notes

Issues/projects in this repo will be HQ for to do items