[ccp4bb] FW: [ccp4bb] off topic: DSSP

2013-01-26 Thread Robbie Joosten
--- Begin Message --- Hi, I thought the latest version of dssp ftp://ftp.cmbi.ru.nl/pub/software/dssp/dssp-2.1.0.tgz contains the fixes to build a Mac version. However, it may be you have to remove the -static flag from the Makefile. If so, please let me know, I have no Mac capable of run

Re: [ccp4bb] A question about FFT

2013-01-26 Thread Ian Tickle
Hi Wei Don't forget that a Patterson has space-group symmetry too so there will be symmetry-related peaks that may not be listed by the peak-search program. The Patterson space group is this case is Cmmm, so a peak at (0,2y,2z) will also occur at (1/2,1/2+2y,1-2z) (as well as 6 other positions in

Re: [ccp4bb] CCP4 Update 015

2013-01-26 Thread Boaz Shaanan
Dear Developers, As part of the wonderful work you're doing with development and upgrades, would it be possible to also update the INDEX.html in the $CCP4/html directory whenever a new program html is entered into this directory (e.g. the latest aimless.html)? Thanks, Boaz Bo

Re: [ccp4bb] CCP4 Update 015

2013-01-26 Thread eugene . krissinel
Dear Boaz, If that was not done, it's an oversight. Surely this is possible, will have a look into. Thanks for reporting (but please use c...@stfc.ac.uk for future bug reports please), Eugene On 26 Jan 2013, at 14:00, Boaz Shaanan wrote: > Dear Developers, > > As part of the wonderful wor

[ccp4bb] gedit on mac terminal

2013-01-26 Thread LISA
Hi all, I installed gedit on my mac applications. But i can not use it by terminal. Please help me figure it out. Thanks. lisa

Re: [ccp4bb] gedit on mac terminal

2013-01-26 Thread Ed. Pozharski
Try this http://www.mac-forums.com/forums/os-x-apps-games/239657-gedit-command-not-found-terminal.html Original message From: LISA Date: To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] gedit on mac terminal Hi all, I installed gedit on my mac applications. But i can not use

[ccp4bb] freerflag bug

2013-01-26 Thread Edwin Pozharski
FREERFLAG fails as part of the uniqueify script to complete a test set on a cif-file downloaded from the PDB.  My observations: 1) The bug is version-dependent - freerflag 6.2 succeeds, freerflag 1.1 fails (comes with ccp4 6.3, apparently newer than "version 6.2" from ccp4 6.2) 2) The input cif-

Re: [ccp4bb] freerflag bug

2013-01-26 Thread Robbie Joosten
Hi Ed, I've had this problem as well. It's the result of the very small R-free set fraction. There is an error routine that catches really small R-free sets, but 0.5% gets through and triggers ar problem. My workaround is to just use a larger R-free set fraction (more than 1%). The version number

[ccp4bb]

2013-01-26 Thread Faisal Tarique
Dear all I have solved one structure at resolution 2.6 Angstrom in the space group P212121. The R/ Rfree are 22 / 26 with FOM of .806, but when i am trying to upload on the online validation server its not working. Just to cross check there is no problem with my mtz i took altogether unrelated m