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pkgsrc/biology/pdbalign/distinfo

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Rats. Re-import ``align'' as ``pdbalign'', as that's the package's name. Given a GCG multiple sequence alignment file (a GCG MSF file), which a includes a sequence of known structure, the program pdbalign maps the sequence variability onto the known structure. The central premise is of course, that for a closely related family of proteins (sequence ID > 40%) the 3-D structures will not be significantly different.pdbdist calculates the distance from each atom in the pdb file to each atom in the ligand and records the minimum in the temperature field for that atom record.distalign reads the output from pdbdist and also the original GCG MSF file and produces an MSF file annotated with a measure of sequence variability and the distance of the residue at that position (of the sequence of known structure) from the ligand.
2003-09-26 05:15:28 +02:00
$NetBSD: distinfo,v 1.1.1.1 2003/09/26 03:15:28 jschauma Exp $
SHA1 (pdbalign.tar.gz) = 83f8e393fe98cb877bc90e804911b1819a18c1d3
Size (pdbalign.tar.gz) = 10457 bytes
SHA1 (patch-aa) = 77293faa3e81fd6cdb093d378b14128208d3f845
SHA1 (patch-ab) = 9795a6a0174811a5e4d922e1ba69e24ced97dc61
SHA1 (patch-ac) = 1c2d621c0be9c4aa78b1d931e2b972d94173e327
SHA1 (patch-ad) = a123bdff11fdb5f2a69d41edfb8234f2a488d12d
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