|
Can I fit two structures which do not have the same number/sequence of atoms? |
|
Saturday, 10 September 2005 |
Yes, just type:
| |
g_confrms -f1 file1.xxx -f2 file2.xxx |
|
g_confrms accepts any generic structure format which for instance can be .pdb, .gro or .tpr. The program will ask you to select subgroups of both structures for the (non mass weighted) LSQ fit. These subgroups must have the same number of atoms, however the two structures do not need to have the same number of atoms, i.e. two proteins with the same number of residues but not the same type of residues can be fitted on c-alpha's. You will be warned when the atomnames in the fit groups do not match, but the program will go on. Option -o gives a .gro file of the second structure fitted one the first. Option -op gives a .gro file of the two structures fitted on top of each other.
|
