You could try the stand-alone version of AMoRe from Jorge Navaza's web site.
http://mem.ibs.fr/JORGE/index.html Stefano TRAPANI Maître de Conférences Centre de Biochimie Structurale (CBS) CNRS UMR 5048; UM1; UM2; INSERM UMR 554 29 rue de Navacelles 34090 MONTPELLIER Cedex - France Tel : +33 (0)4 67 41 77 29 Fax : +33 (0)4 67 41 79 13 http://www.cbs.cnrs.fr/spip.php?rubrique182&PERS=Stefano%20Trapani On Wed, April 27, 2011 13:14, Chris Richardson wrote: > One of our group was having trouble getting AMoRe to use model coordinates > as a trial model. I've replicated this using the data from the tutorial > at > > http://www.ccp4.ac.uk/dist/examples/tutorial/html/mr-tutorial-amore.html > > It fails using CCP4 6.1.13 on OS 10.6.7 (compiled from Fink) and Ubuntu > 8.0.4 LTS (binary installation from ccp4.ac.uk). > > The tutorial uses a PDB file of model coordinates (model.pdb). As I > understand it, AMoRe is supposed to generate an SF table file from this. > Instead, AutoAMoRe seems to be looking for an mtz file. > > The logs look like this: > >> *************************************************************************** >> * Information from CCP4Interface script >> *************************************************************************** >> There is no SF Table file for the map of the model coordinates >> Generating the file /home/foop/temp/amoretest/AmoreModel_MR_trial.tab >> *************************************************************************** >> >> File: "/home/foop/temp/amoretest/AmoreModel_MR_trial.mtz" >> Cannot be opened for reading >> CCP4 library signal ccp4_general:Cannot find input file (Error) >> raised in ccp4setenv <<<<<< >> amore: Cannot find input file >> Times: User: 0.0s System: 0.0s Elapsed: 0:00 >> *************************************************************************** >> * Information from CCP4Interface script >> *************************************************************************** >> The program run with command: /sw/share/xtal/ccp4-6.1.13/bin/amore HKLIN >> "/home/foop/temp/amoretest/AmoreModel_MR_trial.mtz" HKLPCK0 >> "/tmp/foop/AmoreTest_1_3_hkl.tmp" TABLE1 >> "/home/foop/temp/amoretest/AmoreModel_MR_trial.tab" >> has failed with error message >> Last system error message: No such file or directory >> amore: Cannot find input file >> *************************************************************************** > > > The command script generating this is: > >> ******************************************************************* >> /tmp/foop/AmoreTest_1_4_com.tmp >> ******************************************************************* >> title AmoreTest >> sortfun - >> MODEL - >> resolution 60.0 - >> 3.0 >> labin FC=FC PHIC=PHIC >> ## This script run with the command ########## >> # /sw/share/xtal/ccp4-6.1.13/bin/amore HKLIN >> "/home/foop/temp/amoretest/AmoreModel_MR_trial.mtz" HKLPCK0 >> "/tmp/foop/AmoreTest_1_3_hkl.tmp" TABLE1 >> "/home/foop/temp/amoretest/AmoreModel_MR_trial.tab" >> ################################################ > > If anyone can suggest a way around this problem (other than using an > alternative MR program), I'd be grateful. > > Regards, > > Chris > -- > Dr Chris Richardson :: Sysadmin, structural biology, icr.ac.uk > > > The Institute of Cancer Research: Royal Cancer Hospital, a charitable > Company Limited by Guarantee, Registered in England under Company No. > 534147 with its Registered Office at 123 Old Brompton Road, London SW7 > 3RP. > > This e-mail message is confidential and for use by the addressee only. If > the message is received by anyone other than the addressee, please return > the message to the sender by replying to it and then delete the message > from your computer and network. > > -- > Passerelle antivirus CBS > -- Passerelle antivirus CBS
