CCP4 is a collaboration between many and varied authors, so the exact answer depends on which bit of the ccp4 interface you are talking about!
Generally, most CCP4 programs will work with "standard" PDB files. The spacegroup on the CRYST1 line is only needed if a program can't get the symmetry information from elsewhere, such as MTZ file or program keywords (for example, though not a heavy atom example, our distributed example toxd.pdb doesn't have it). Some CCP4 programs use the "HA" format for heavy atom input, see: http://www.ccp4.ac.uk/dist/ccp4i/help/modules/exptphase.html#solution_files HTH Martyn On Tue, 2007-03-20 at 15:06 +0800, yang li wrote: > Hi: > Now I need to input a heavy atom pdb file in the ccp4 interface, does > ccp4 has a special format for all the programs in the package? I used > heavy atom file from shelxd but it seemed not right. where can I get a > model of such pdb file? Thanks!
