Amide I Vibrational Spectroscopy Lab

By Michael Earl Reppert1; Jacob Hnatusko Wat1

1. Purdue University

This tool allows users to upload/fetch protein databank files, visualize the protein structure, and calculate Amide I vibrational spectra for the protein.

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Version 1.4 - published on 17 Nov 2022

doi:10.21981/9Y77-RJ87 cite this

Open source: license | download

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Usage

World usage

Location of all "Amide I Vibrational Spectroscopy Lab" Users Since Its Posting

Cumulative Simulation Users

119

2 5 9 13 15 20 24 25 31 34 35 39 40 45 46 47 49 49 49 53 53 57 72 73 73 76 89 94 95 95 98 101 104 106 107 109 110 113 116 116 116 116 119 119

Simulation Runs

596

4 20 44 55 59 75 89 91 127 147 153 171 172 184 188 190 194 198 202 222 222 230 353 360 364 383 458 478 480 480 487 499 508 512 514 526 532 542 554 554 554 558 580 596
Overview
Average Total
Wall Clock Time 5.19 hours 72.03 days
CPU time 3.87 minutes 21.46 hours
Interaction Time 1.87 hours 25.93 days