Hello Ainsley I'm not sure what the MOLREPLIB is used for, I checked the Molrep source code and references to it are commented out. So it seems most likely that this is now just an historical curiosity, and can be safely ignored.
I suspect that your question regarding Phaser has been lost in the thread concerning Refmac. I'm not sure that I have any suggestions on that topic that don't reiterate what has already been posted - if Phaser runs ok from a script but fails from the interface then as already suggested I would check that the version of Phaser being run in the interface is the same as that being invoked by the script. One way to ensure this is to go to "System Administration"->"Configure Interface" in CCP4i, and explicitly define the full path for the phaser executable at the bottom of the "External Programs" folder. Not sure what else to suggest right now. Best wishes Peter C.Ainsley Davis wrote: > PJ. Ok after doing the stuff for refmac and running a few test runs of > it, it worked ok. After using it on my current model, all of my bfactors > shot up, my RMS for bond lengths went from .015 to 0.34 and my RMS for > angles were also doubled. (this was done by re-running a job in refmac > prior to my new changes) > > Thus I am changing things back to the way they were, in doing so I > noticed another folder with a link to $CLIB/lib/data/monomers which is the > setenv MOLREPLIB section just above the CLIBD_MON section > > would these need to be changed as well? > > Also still no word out there from you all about PHASER =) > > Thanks everyone, the advice on this board is fantastic > > Ainsley > > P.J.Briggs wrote: >> Dear Ainsley >> >> I'm not sure which file you took from Garib's page, however the CCP4i >> "install" options (under the "System Administration" menu) are only for >> installing new interfaces and not for updating the programs themselves. >> >> I just took a look at the files on Garib's page, and downloaded the file >> linked as "refmac 5.4 for linux", which arrives on your system as >> "refmac5.4_linintel.tar.gz". Unpacking this I get three files: >> >> refmac_linintel >> makecif_linintel >> libcheck_linintel >> >> These are updated executables for the refmac5, makecif and libcheck >> programs that should be in the "bin" directory of your CCP4 distribution >> (do "cd $CBIN" to get there) - you should move the current executables >> out of the way, and then copy and rename the new files into the bin >> directory. >> >> For the new dictionary, I would suggest downloading the file and >> unpacking it somewhere like the lib/data/ subdirectory of your CCP4 >> distribution. This should create something like >> /your/path/ccp4-6.0.2/lib/data/dic >> >> You can then change the environment variable "CLIBD_MON" to point to >> /your/path/ccp4-6.0.2/lib/data/dic/, either on the command line or in >> ccp4.setup (probably better to do the latter). >> >> I'm pretty sure that this should work - sorry if it sounds complicated. >> And yes it would probably be useful if Garib did indeed include some >> information about updating on the actual page - but we don't have any >> control over that. >> >> Hope that this helps, best wishes >> >> Peter Briggs >> CCP4 >> >> C.Ainsley Davis wrote: >> >>> Hey all I have checked everything that was mentioned here. >>> >>> I dont have PHENIX installed ( I am using the current version from >>> http://diablo/ucsc.edu/~wgscott/debian/deb/ccp4/) >>> >>> I checked the setup file and its set to 1 >>> >>> Any other ideas? >>> >>> >>> Next question >>> >>> I would like to install the newest version of REFMAC. I downloaded the >>> file from Garib's page) I try to use the ccp4 GUI to install the file, >>> but it doesnt like it. It says something about it being unable to read >>> the contents. If I gunzip then tar the file i get 3 files which I am >>> not sure what to do with. There is also a new library file Garib >>> recommends downloading, but in any case I cannot install the 5.4 version >>> of REFMAC and cannot find any documentation online on how to install it! >>> >>> Thanks again CCP4 BB! >>> >> >> -- ___________________________________________________ Peter J Briggs, [EMAIL PROTECTED] Tel: +44 1925 603826 CCP4, [EMAIL PROTECTED] Fax: +44 1925 603825 http://www.ccp4.ac.uk/ Daresbury Laboratory, Daresbury, Warrington WA4 4AD
