Uppsala Software News @ 970625 ****************************** * FTP SERVER MOVED ****************** As announced earlier, essentially all O-related software and other files have been moved to a new ftp server: ftp://xray.bmc.uu.se/ The USF web site contains a handy page with links to facilitate your downloading (accessible from the index page http://xray.bmc.uu.se/~gerard/manuals/ by clicking on "FTP" in the menu in the left-hand frame). A note for OOPS-afficionados: OOPS has now been included in the X-UTIL package, so you don't need to download it separately any longer. * XPLO2D Version 2.3 ******** New option "DIHE". With this option you can generate a set of DIHEdral restraints for use with X-PLOR which will restrain the Phi and/or Psi and/or Chi-1 and/or Chi-2 torsion angles of your current, low-resolution complex to those of the brilliant 1.5 A native structure you prepared earlier ! This is an alternative to using HARMonic restraints, and it is much more flexible and easier to set up. See the manual for more details. * OOPS Version 4.6 ****** Added an option to produce an HTML file with a residue-by-residue critique of your current model, which you can post on your web site or intranet server. * RAVE ****** Increased the maximum number of NCS operators that can be handled to 120 (upon request). Fixed a bug in the routine which reads NCS operators. In rare cases this could lead to errors in the reading of such operator being ignored. In particular, if you were reading operators from a file which did not end with a character, the corresponding translation could end up being (0,0,0) ! If this happens now, an error message is issued and the program bails out. This bug fix affects AVE, MAVE and MAMA. If you have been getting strange results, get the new version(s). By the way: nowadays NCS operators can be read from a single file (instead of having, e.g., 60 separate operator files for your virus) ! * AVE Version 4.0.1 ***** Now prints the solvent fraction in the expansion step (when calculating solvent density). * MAPMAN Version 5.0.1 ******** New MStats command to get density statistics separately for points inside and outside a mask. * DATAMAN Version 5.0.2 ********* Better error checks when there are no centrics in the TWin_stats and GEmini commands. * LSQMAN Version 5.3 ******** Added an (optional) "chain" parameter to the APply_operator command. This enables you to apply a least-squares operator to only one particular chain of a molecule. The default ("*") is to apply the operator to all chains of a molecule. * ODBMAN Version 1.5 ******** New BOxcar command to do box-car averaging of datablocks (e.g., to smooth them before plotting). * OMAC ****** Improved versions of the "dirtar" and "tardir" scripts. --cd (aka: http://xray.bmc.uu.se/~gerard/cd.jpeg ) CD's Word of the Month: nepheligenous