imosflm的使用说明.pdf

Mosflm 7.0.1 and its new interface - iMosflm 0.5.3 Harry Powell, Andrew Leslie and Geoff Battye MRC Laboratory of Molecular Biology, Hills Road, Cambridge CB2 2QH Email: harry@mrc-lmb.cam.ac.uk, andrew@mrc-lmb.cam.ac.uk Introduction CCP4 provided the funding to allow a new graphical user interface (GUI) to be developed for the diffraction image integration program Mosflm. The result, known as iMosflm, is a new interface that has a straightforward and logical flow through processing diffraction data. It has been designed so that a novice user can easily process datasets and it also has the functionality to allow more advanced users to deal with difficult data. The feedback to the user has been tailored to provide the most useful items in as clear a way as possible so that the various processing parameters can be optimized. Output which was only available in Mosflm in tables is now presented by iMosflm in the most appropriate form, e.g. pie-charts, histograms and line graphs. Variables being refined during processing are displayed as real-time graphs, which allow the user to see immediately if any problems arise. iMosflm is written in TclTk, and can be installed and run on most modern computing platforms, including Linux, OS X and Microsoft Windows. Underlying changes have been implemented in Mosflm to facilitate the development of iMosflm, and which also make processing more robust and less likely to cause the user problems. Mosflm itself can be run from the command-line (e.g. in a UNIX shell window or a MS-Windows command prompt), so it can be used in shell scripts, and the traditional X11 GUI is still available for all platforms for which it was previously available. The vast majority of the work on iMosflm was carried out by Geoff Battye between 2003 and 2006; this culminated in the release of iMosflm 0.4.5 in August 2006, which required the installation of a beta-release copy of Mosflm version 6.2.6. The latest version (described here,