Automated Glycan Building in X-ray Crystallography

Command

Syntax:

Simple Example:

Advanced Example:

Attempt to build O-mannoses into ABCD.cif with structure factors.

Options

Describe what each option is used for:

-modelin

Path to input model file.

Formats accepted: PDB, mmCIF, CIF

Required

-mtzin

Path to input MTZ or SF CIF file (may be gzipped).

Required

-modelout

Path to output CIF file.

Default: sails-model-out.cif

-mtzout

Path to output MTZ file.

Default: sails-refln-out.mtz

-logout

Path to output MTZ file.

Default: sails-log.json

-snfgout

Path to output SNFG directory.

-cycles

Number of internal cycles to run.

Default: 2

-type

Type of glycosylation

Options:

• n-glycosylate

• c-glycosylate

• o-mannosylate

Default: n-glycosylate

-colin-fo

Comma separated SF observations and associated uncertainty.

Default: FP,SIGFP

-colin-fwt

Comma separated SF weight and associated phase.

If supplied, Sails will not recalculate the map prior to the first cycle.

Advanced

-v

Verbose output

-h

Displays help.

--version

Displays version.