Dear all, I have an original sca file with anomalous signal and a heavy atoms sites file in PDB format.
PDB FILE : CRYST1 77.780 77.780 187.640 90.00 90.00 120.00 P 61 2 2 SCALE1 0.012857 0.007423 -0.000000 -0.00000 SCALE2 -0.000000 0.014846 -0.000000 0.00000 SCALE3 0.000000 -0.000000 0.005329 -0.00000 ATOM 1 S HAT 1 -62.495 123.694 12.804 0.36 20.00 S ATOM 9 S HAT 9 -49.984 90.531 2.130 0.32 20.00 S ATOM 10 S HAT 10 -59.282 106.437 9.760 0.74 20.00 S ATOM 84 S HAT 84 -60.153 114.024 15.399 0.52 20.00 S ... ... Can I use SHELXE to perform phasing and density modification? How to do it? Thank you for your help! Wei
