Program

Version

Function

Main Executable

 

 

 

 

CCP4 suite

6.0.2

Phasing, refinement

ccp4i

CNS

1.2

Phasing, refinement

cns

COOT

0.5

Model building

coot

d*TREK

9.7

Data processing

dtprocess

EPMR

2.5

Molecular replacement

epmr

HKL2000

0.98.698d

Data processing

HKL2000

O

12.0

Model building

ono

PHENIX

1.3rc2

Phasing, refinement

phenix

PYMOL

1.0r2

Molecular graphics

pymol

REPLACE

4.2

Molecular replacement

glrf, tf

SHARP

1.4.0

Phasing, automated model building

run-sharp

SHELX

SHELX-97

Phasing, refinement

shelxpro

Shake-n-Bake

2.2

Heavy atom search, small molecule phasing

SnB

SOLVE

2.13

Phasing

solve

Uppsala programs

07/09/08

Manipulation of data, maps, coordinates, etc.

dataman, moleman2, etc.

WARP

7.0.1

Automated model building, solvent building

ccp4i

WHATCHECK

4.99

Structure validation

whatcheck

 

Software Documentation

X-ray Crystallography Core Laboratory

Department of Biochemistry

Director: P. John Hart, Ph.D.  Faculty Web Site