OpenEye Scientific Software has released AFITT 2.3, the latest version of its application which helps crystallographers fit ligands to observed data.
The release includes several bug fixes and enhancements such as protein side-chain fitting, better density detection, and more control on report and logging generation.
GenBank 197.0 is now available via ftp from the National Center for Biotechnology Information.
Uncompressed flatfiles in this release require roughly 607 gigabytes for sequence files only.The ASN.1 data require approximately 501 GB.
The Protein Databank said this week that it now provides X-ray structure validation reports to depositors as part of the structure annotation process.
Depositors can use these reports to assess the quality of their structures. Journal editors and referees can also use them during the manuscript review process.