XtalSoft
is a windows-based data management tool for macromolecular
crystallography
laboratory. Currently it has Oracle/MySQL database back end.
Some of its features are:
User Role based security - two roles, viz., USER and ADMINISTRATOR are available in xtalSoft. Administrators
can create projects, set users and their authroizations, set server path to save crystallography data, in addition to all the
USER related functions. The USERs can record experimental observations pertaining to the protein whose structure they
are trying to determine.
User Authorization - Users are assigned to projects. They can manipulate and retrieve data for only those projects
that they are assigned to. Data for other projects is not visible to the user if he/she is not assigned to it.
User Management - New users can be created and their passwords can be reset.
Project Based Architecture: Project is the starting and central point for storing protein data. Proteins belong to a
project and projects are assigned to users.
Crystallography Manager - The tool allows the user to follow a logical process in determining the protein structure.
Add general protein information, protein purification - gel level details,
Crystal set up - record crystal set up information. Set up crystal screens and record daily observations on
the progress of the wells in various screens.
Screen data can be exported to Excel.
Crystal properties - record observations on crystals obtained in various screens
Data Collection - record X ray data collection
observations.
Data processing information - record information on how the data collected was processed.
New data can be entered and current data can be manipulated.
Create Custom Screens - New screens can be created and used for crystal setup.
Import Screens from Excel - Screens already created in Excel can be imported into
XtalSoft.
Reports - Run administrative, project specific and protein specific reports and export data to Excel.
View images - Images of purified protein gels can be uploaded and viewed.
Integration with other applications -
XtalSoft is integrated with other applications such as pyMol. Protein related files
can be downloaded from a network file server or protein data bank, and viewed in pyMol. This requires that pyMol
already be installed.
Oracle is a registered trademark of Oracle
Corporation.
DB2 is a registered trademark of IBM
Corporation.
