Uppsala Software News @ 960409 ****************************** * OMAC ****** o auto_amore.com - has been changed so you can now choose to do the Rotation Function with either Fs or Es; the Translation Function is always done with Fs (use TFFC if you want to do it with Es). o plane_extract.csh - cute little script which will extract and plot a 2D projection of *any* plane in a map. For instance, if you want a 2D contour plot of the density through one of your tyrosine rings, use this script. It uses MAMA, MOLEMAN, LSQMAN, MAVE, MAPMAN and O2D to do all the work. The output is a PostScript file of the density (projected) cut out through the plane you defined. o some example macros for MAPMAN, LSQMAN and DATAMAN. * DATAMAN (not the XDL-version) Version 3.9 ********* Macro facility implemented (works the same as in MAMA); macros can be executed by typing @ followed by the filename. New NOise command to add random noise to Fs (needed for a teaching exercise with calculated data). Noise is added as a random percentage of the average intensity of each resolution shell. If this would yield a negative intensity for a (very weak) reflection, the old F is replaced by F/10 instead. This could also be used to investigate the effect of random noise on a structure refinement. Zbyszek Otwinowski also thinks this can be used to assess overfitting (refine to convergence; perturb Fobs; refine again; check if delta-Fc is correlated with delta-Fo; ZO, personal communication, April 1995). * MOLEMAN Version 7.2.1 ********* Fixed some instances where ASCII(0) was written to output PDB files (e.g., the INSERT character when HELIx_generate or STRAnd_gen was used; thanks to John Hunt for pointing this out). * MAVE Version 2.5 ****** Changed minimum allowed cell axis length from 10.0 to 1.0 A so the program can be used with small molecules. Removed nasty bug which occurred when using a mask for EZ-skewing whose origin and extent were not the same as those of the input map. * MAPMAN (not the XDL version) Version 4.5 ******** Macro facility implemented (works the same as in MAMA); macros can be executed by typing @ followed by the filename. * LSQMAN Version 4.4 ******** Macro facility implemented (works the same as in MAMA); macros can be executed by typing @ followed by the filename. * ODBMAN Version 1.3 ******** Macro facility implemented (works the same as in MAMA); macros can be executed by typing @ followed by the filename. --cd