 |
 |
I think that XPREP would also be suitable for the purpose, but is limited to 99 input files. George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-22582 On Thu, 4 Nov 2010, Eleanor Dodson wrote: > I think it is far safer to run CAD with 9 files, > then again with the output file as the first input, plus 8 more etc etc etc.. > > This isnt something you want to do very often > Eleanor > On 11/03/2010 06:01 PM, Ian Tickle wrote: > > I have a version wten is it? > > hich I modified a while back to handle up to 999 > > files simultaneously, and which I can send to anyone privately on > > request, as long as you accept the entire risk of using it (and you > > should probably also heed Martyn's warning!). It has probably > > diverged from the distributed version and may not have benefitted from > > any recent (and no-so-recent) bugfixes, so no guarantees to fix it if > > it doesn't work for you! > > > > And yes it was a pig to get it working, it wasn't just a matter of > > increasing MAXFILES, the file limits are also embedded in the labels. > > > > Caveat emptor! > > > > Cheers > > > > -- Ian > > > > On Wed, Nov 3, 2010 at 5:34 PM, Martyn Winn<[log in to unmask]> wrote: > > > Yes, CAD is limited to 9 input files. I seem to remember I once tried to > > > increase the limit, but got into problems (it is not just a case of > > > increasing MAXFILES). It is far simpler and safer to run CAD > > > iteratively. > > > > > > But an MTZ file can hold more. The current limits are: > > > #define MXTALS 100 > > > #define MSETS 1000 > > > #define MCOLUMNS 10000 > > > > > > In principle, we could remove these limits, but I guess they are ok in > > > most normal cases ... > > > > > > m > > > > > > > > > On Wed, 2010-11-03 at 18:20 +0100, Rita GIORDANO wrote: > > > > Hello, > > > > 9 mtz files are the limit of CAD, one things you can do is to modify the > > > > source file , that is wrote in fortran, or write a bash script or that > > > > run iteratively the CAD script and change the MTZ files. > > > > > > > > R. > > > > > > > > On 03/11/2010 18:11, Francis E Reyes wrote: > > > > > CCP4'ers, > > > > > > > > > > Are 9 datasets the maximum for an mtz file? or a single run of cad? > > > > > The > > > > > manual (http://www.ccp4.ac.uk/html/cad.html) seems to suggest that 9 > > > > > is > > > > > the limit per cad run but not for a given mtz. > > > > > > > > > > F > > > > > > > > > > > > > > > > > > > > --------------------------------------------- > > > > > Francis E. Reyes M.Sc. > > > > > 215 UCB > > > > > University of Colorado at Boulder > > > > > > > > > > gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D > > > > > > > > > > 8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D > > > > > > > > > > -- > > > *********************************************************************** > > > * * > > > * Dr. Martyn Winn * > > > * * > > > * STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K. * > > > * Tel: +44 1925 603455 E-mail: [log in to unmask] * > > > * Fax: +44 1925 603634 Skype name: martyn.winn * > > > * URL: http://www.ccp4.ac.uk/martyn/ * > > > *********************************************************************** > > > > > >