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author | V3n3RiX <venerix@redcorelinux.org> | 2017-10-09 18:53:29 +0100 |
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committer | V3n3RiX <venerix@redcorelinux.org> | 2017-10-09 18:53:29 +0100 |
commit | 4f2d7949f03e1c198bc888f2d05f421d35c57e21 (patch) | |
tree | ba5f07bf3f9d22d82e54a462313f5d244036c768 /sci-chemistry/mm-align/metadata.xml |
reinit the tree, so we can have metadata
Diffstat (limited to 'sci-chemistry/mm-align/metadata.xml')
-rw-r--r-- | sci-chemistry/mm-align/metadata.xml | 26 |
1 files changed, 26 insertions, 0 deletions
diff --git a/sci-chemistry/mm-align/metadata.xml b/sci-chemistry/mm-align/metadata.xml new file mode 100644 index 000000000000..5653687f9cfd --- /dev/null +++ b/sci-chemistry/mm-align/metadata.xml @@ -0,0 +1,26 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> + <maintainer type="project"> + <email>sci-chemistry@gentoo.org</email> + <name>Gentoo Chemistry Project</name> + </maintainer> + <longdescription> +MM-align is an algorithm for structurally aligning multiple-chain +protein-protein complexes. The algorithm is built on a heuristic +iteration of a modified Needleman-Wunsch dynamic programming (DP) +algorithm, with the alignment score specified by the inter-complex residue +distances. The multiple chains in each complex are first joined, in every +possible order, and then simultaneously aligned with cross-chain alignments +prevented. The alignments of interface residues are enhanced by an +interface-specific weighting factor. An optimal alignment between two complexes, +as well as the overall TM-score, will be reported for each comparison. +What is the difference between TM-align and MM-align? TM-align is for aligning +monomer protein structures while MM-align is designed for aligning +multiple-chain protein complex structures. Although one can still use TM-align +to align protein complexes after manually joining the chains, this will lead +to suboptimal alignments with unphysical cross alignments. Therefore, the +best result will be obtained if one uses TM-align to monomer structures and +MM-align for multimer structures. +</longdescription> +</pkgmetadata> |