Open AccessSOLVE and RESOLVE: automated structure solution, density modification and model building
Author(s) -
Terwilliger Thomas
Publication year - 2003
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049503023938
Subject(s) - computer science , identification (biology) , scaling , software , model building , atom (system on chip) , macromolecule , algorithm , computational science , chemistry , physics , mathematics , botany , geometry , quantum mechanics , embedded system , biology , programming language , biochemistry
The software SOLVE and RESOLVE can carry out all the steps in macromolecular structure solution, from scaling and heavy‐atom location through phasing, density modification and model‐building in the MAD, SAD and MIR cases. SOLVE uses scoring scheme to convert the decision‐making in macromolecular structure solution to an optimization problem. RESOLVE carries out the identification of NCS, density modification and automated model‐building. The procedure is fully automated and can function at resolutions as low as 3 Å.