{"added":null,"apiVersion":1,"behindSince":null,"buildDepends":[],"categories":["biology"],"comment":"Prediction of Protein Secondary Structure and Active Sites","compare":null,"dependentCount":null,"description":"Given a GCG multiple sequence alignment file (a GCG MSF file), which a\nincludes a sequence of known structure, the program pdbalign maps the\nsequence variability onto the known structure. The central premise is\nof course, that for a closely related family of proteins (sequence ID\n\u003e 40%) the 3-D structures will not be significantly different.pdbdist\ncalculates the distance from each atom in the pdb file to each atom in\nthe ligand and records the minimum in the temperature field for that\natom record.distalign reads the output from pdbdist and also the\noriginal GCG MSF file and produces an MSF file annotated with a\nmeasure of sequence variability and the distance of the residue at\nthat position (of the sequence of known structure) from the ligand.","flavors":[],"html":"https://daemonports.org/netbsd/biology/pdbalign/","kind":"port","lastUpdate":null,"license":[],"maintainer":"pkgsrc-users@NetBSD.org","name":"pdbalign","newest":false,"newestVersion":null,"noVulnData":false,"origin":"biology/pdbalign","otherSystems":[],"packages":[{"repo":"NetBSD 10.1 x86_64","versions":["20030812"]},{"repo":"NetBSD 10.1 aarch64","versions":["20030812"]},{"repo":"SmartOS / illumos x86_64","versions":["20030812"]},{"repo":"macOS 15 arm64","versions":["20030812"]}],"pkgName":"pdbalign-20030812","related":null,"repository":"pkgsrc","requiredBy":[],"requiredByCount":0,"runDepends":[],"status":null,"system":"netbsd","systemLabel":"NetBSD","version":"20030812","versions":null,"vulnerabilities":null,"www":null}