charite.christo.strap.DialogExportProteins

Export protein in different format

[Menu-bar>Protein>File>Export proteins and alignments]

Dragging proteins with the mouse

Proteins can be dragged from the alignment to the Desktop or the file browser. This requires dragging a protein label such as in the row header of the alignment with the mouse. Proteins can be dropped in other Desktop applications that support . They may also be dropped into another STRAP instance.

Usually, the protein file, i.e. the file that the protein was loaded from, is transfered. But in some cases, the user might want not this original file but a different or modified protein file:

The protein might be truncated left and right by a "!from-to" suffix in the protein name. The user might want a file comprising only the visible residues.
The 3D-structure might be transformed as a result of 3D-superposition.
PDB-Proteins that consist of several peptide chains are often first split into files with only one peptide chain prior loading into STRAP. The user might want the big file which comprises all chains, and not just the one.

REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000
REMARK 350   BIOMT1   2 -0.500000 -0.866025  0.000000       52.15000
REMARK 350   BIOMT2   2  0.866025 -0.500000  0.000000       90.32645
REMARK 350   BIOMT3   2  0.000000  0.000000  1.000000        0.00000

PDB files might describe the biological unit of homo multimers by symmetry operations of the form: In this example two transformations are applied resulting in a dimer. Users might be interested in creating the coordinates for the Biological molecule by applying these matrices.

A panel with several export options is available. The button appears at the right bottom when the user attempts to drag out a protein.

Using the export dialog (file-menu)

Single protein files can be exported in various output formats. The output format is selected using a combo box.