{% extends "base.html" %} {% block content %} rna-tools.online {% if j.get_status == 'finished' %} {% endif %}

Minimize structure [Fix clashes] with OpenMM

files from another job e.g., 614e0a1b

{% csrf_token %}
{{ log | safe }}
{%if j.get_status == 'finished' %} {{ ref }} (green) vs {{ model }} (red) {% endif %}

The raw output files for each step of the pipeline can be found here and downloaded as a ZIP file here.

Documentation

P. Eastman, J. Swails, J. D. Chodera, R. T. McGibbon, Y. Zhao, K. A. Beauchamp, L.-P. Wang, A. C. Simmonett, M. P. Harrigan, C. D. Stern, R. P. Wiewiora, B. R. Brooks, and V. S. Pande, “OpenMM 7: Rapid development of high performance algorithms for molecular dynamics,” PLoS Comput Biol, vol. 13, no. 7, pp. e1005659–17, Jul. 2017.

{% endblock %}