A new vector-search rotation function: image-seeking functions revisited in macromolecular crystallography.
A new rotation function in Patterson space is described. An image-seeking function can be defined as a criterion of fit between the observed Patterson map and a suitable vector set extracted from a specially calculated Patterson map of the search model. The behaviour of image-seeking functions has appeared to be heavily dependent on certain relations between some statistical parameters of both maps. A new algorithm, which carries out the crucial step of selecting the appropriate vector set from the search model, has been established. As a consequence of the combination of these two preceding results, a new vector-search rotation function has been proposed and tested.
Borge
J
J
Departamento de Química Física y Analítica, Facultad de Química, Universidad de Oviedo, Spain. jjba@sauron.quimica.uniovi.es
Alvarez-Rúa
C
C
García-Granda
S
S
D000465:Algorithms; D001059:Apoproteins / Q000737:chemistry; D001400:Azurin / Q000737:chemistry; D001426:Bacterial Proteins / Q000737:chemistry; D003198:Computer Simulation; D018360:Crystallography, X-Ray / Q000379:methods*; D054303:HIV Reverse Transcriptase / Q000737:chemistry; D007089:Image Enhancement / Q000379:methods*; D046911:Macromolecular Substances; D008956:Models, Chemical; D008958:Models, Molecular; D010731:Phosphoenolpyruvate Sugar Phosphotransferase System / Q000737:chemistry; D012416:Rubredoxins / Q000737:chemistry; D012984:Software; D012996:Solutions
D001059:Apoproteins; D001426:Bacterial Proteins; D046911:Macromolecular Substances; D012416:Rubredoxins; D012996:Solutions; C038778:apoazurin; D001400:Azurin; D010731:Phosphoenolpyruvate Sugar Phosphotransferase System; C037992:phosphoenolpyruvate-mannose phosphotransferase; D054303:HIV Reverse Transcriptase