Quick Start II. Solvent Content Estimation

{0}. i) Log on to the computer (using ‘ssh –X’ when remotely).

iii) sgxpro

B

E

D

C

A

A. Select “Solvent Content” from utility tools to bring up the GUI.

B. Type in unit cell constants, and molecular weight (in KD).

You may browse to load the unit cell constant from a ‘.sca ‘file. You may also

browse in the sequence file (in ‘.fasta’, PDB etc. formats) to let SGXPRO to calculate

the molecular weight.

C. Type in number of molecules in an asymmetric unit (AU). If number 0 is given,

SGXPro will sequentially put 1 to 8 molecules into the AU and estimate the solvent

contents.

D. Select a space group. (You may also select more than one space groups at once.).

E. Click on “Calculate” button.