You can't go to a larger grid without decreasing the resolution of the map first. If you have a 1 A resolution map and sample it with a 2 A spacing you are not likely to get anything useful (Your FFT program should complain mightily too). If you cut the resolution to 4 A and sample at 2 you might have some hope.
You can cut the resolution in Coot when you turn on expert mode. The sampling rate in Coot is a function of the resolution so you should automatically drop to a courser grid when you cut the resolution. Dale Tronrud On 12/05/2013 10:47 AM, Roberts, Sue A - (suer) wrote: > How about calculating the maps using a larger grid size? You'll lose some > detail, but if you're looking at 120 A slabs you're probably not looking at > individual atoms/residues anyway. I'm not sure if you can do that in coot or > whether you need to calculate the map using ccp4 (or some other program) and > read in the map. > > Sue > > On Dec 5, 2013, at 11:16 AM, Francis Reyes wrote: > >> Hi all >> >> So I'm running into a case where I need to see maps for large radii (in >> excess of 120A) and I'm thinking I need to move to bigger hardware than this >> laptop. Essentially, I'm getting errors in malloc >> >> coot-real(85522,0xa062e1a8) malloc: *** mach_vm_map(size=1140850688) failed >> (error code=3) >> *** error: can't allocate region >> *** set a breakpoint in malloc_error_break to debug >> libc++abi.dylib: terminating with uncaught exception of type std::bad_alloc: >> std::bad_alloc >> /Applications/ccp4-6.4.0/bin/../coot.app/Contents/coot/bin/coot: line 251: >> 85522 Abort trap: 6 $coot_real $@ >> /Applications/ccp4-6.4.0/bin/../coot.app/Contents/coot/bin/coot: line 257: >> /Applications/ccp4-6.4.0/bin/../coot.app/Contents/coot/bin/guile: No such >> file or directory >> >> What should I look for in a higher end machine? More system memory? Video >> memory? All of the above? >> >> Thanks >> >> F > > Dr. Sue A. Roberts > Dept. of Chemistry and Biochemistry > University of Arizona > 1041 E. Lowell St., Tucson, AZ 85721 > Phone: 520 621 8171 or 520 621 4168 > [email protected] > http://www.cbc.arizona.edu/xray or > http://www.cbc.arizona.edu/facilities/x-ray_diffraction >
