Discngine / fpocket

fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software. If you are interested in integrating fpocket in an industrial setting and require official support, please contact Discngine (www.discngine.com).
MIT License
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MDpocket protein-protein complex error #question #103

Closed H-EKE closed 9 months ago

H-EKE commented 1 year ago

Hi,

I am running me-pocket on protein-protein complex, and I can get rid of from this warning: QH6154 Qhull precision error: Initial simplex is flat (facet 1 is coplanar with the interior point)

While executing: rbox D3 | qconvex FS Options selected for Qhull 2015.2 2016/01/18: run-id 16458431 FSize _pre-merge _zero-centrum _max-width 1.9 Error-roundoff 8.1e-14 _one-merge 5.7e-13 _near-inside 2.8e-12 Visible-distance 1.6e-13 U-coplanar-distance 1.6e-13 Width-outside 3.2e-13 _wide-facet 9.7e-13

How can I solve this?

Thanks in advance!