SF-Tool

Welcome

This SF-TOOL can be used 1). to convert various structure factor format, 2). to check the model coordinates against the structure factor data.

How to Run:

Upload your coordinate and structure factor files (or type in a PDBID).
Select which checks and/or utilities you would like to run. Mouse over for simple instruction.
Press the RUN button to start.

Enter a PDB code (4 characters) Or upload your files below:

Coordinate File:

Structure Factor File:

If the Structure Factor File is SHELX (or TNT) format, select data type: Amplitude (F) Intensity (I)

Convert Structure Factor File to Different Format:

Automatic (default): Output Format:
Semi-automatic MTZ (or CNS) conversion to mmCIF: Number of data sets in file
Percentage of reflection data for the free set (not for deposition!)

Check Model against Structure Factors:

X-ray data using Refmac (Electron density maps will be generated with this option)
X-ray data using Phenix (model_vs_data)
X-ray data using Sfcheck
Neutron data using Phenix (model_vs_data)
Neutron and X-ray hybrid data using Phenix (model_vs_data)

NOTE:

If the file size is large, it is recommended to upload gzipped (*.gz) file for faster loading.

Questions, comments, and suggestions should be sent to deposit@deposit.rcsb.org.