Search found 2 matches

by pmanninghall
2017.06.10 20:22
Forum: Working with Models
Topic: Obtaining Profiles With Explicit Waters
Replies: 2
Views: 3741

Crysol Discards waters

Hi, I have PDB files where I have added waters myself. Unfortunately, CRYSOL discards the waters that I add before calculating the SAXS profiles and says so in the output. Looking through the options, there doesn't appear to be one that does not discard the waters I've added. How do I keep them? Tha...
by pmanninghall
2017.06.01 07:24
Forum: Working with Models
Topic: Obtaining Profiles With Explicit Waters
Replies: 2
Views: 3741

Obtaining Profiles With Explicit Waters

Hi, For example: I submitted two files to crysol, one file with a DNA molecule that is run as is. Another molecule which is the same DNA molecule but includes water in that PDB file. It appears that CRYSOL delets sed water before calculating the curves as all four output curves in the PDB with water...