Input Processing

ARP/wARP checks identity in the input cell parameters and those from the coordinate and map file headers. ARP/wARP does not check whether the cell parameters are meaningful at all, i.e. it will accept CELL 67.1 82.2 79.9 102.2 98.9 100.3 together with SYMM P212121.

ARP/wARP checks whether the orthogonalisation matrix derived from CELL is consistent with the matrix written at the top of the coordinate file.

ARP/wARP will refuse to accept a negative value of the number of atoms to update but does not check whether these numbers are not too high, i.e. are consistent with the formula given above.

ARP/wARP does not check whether the input MAPIN1 is indeed a $(3F_o-2F_c / 2mF_o-DF_c,\alpha_c)$ map or if MAPIN2 is really a $(F_o-F_c / mF_o-DF_c,\alpha_c)$ map.

ARP/wARP does not check the input coordinate file in terms of proper connectivity, residue and atom names, etc.