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Data types
Pdb Structure PDB Structure
NAMD MD Structure PDB Structure + PSF Topology (NAMD format).
AMBER MD Structure PDB Structure + PARMTop Topology (AMBER format).
GROMACS MD Structure PDB Structure + Top (& ITPs) Topology (GROMACS format).
MD Trajectory MD Trajectory.
MD Trajectory CRD Format MD Trajectory CRD Amber ASCII format.
MD Trajectory DCD Format MD Trajectory DCD CHARMM/X-PLOR/NAMD Binary format.
MD Trajectory XTC Format MD Trajectory XTC Gromacs Binary format.
MD Trajectory NetCDF Format MD Trajectory NetCDF (Network Common Data Form), machine-independent binary data format for array-oriented scientific data.
MD Trajectory PCZ Compressed Format MD Trajectory compressed with Pcazip, using Principal Component Analysis (PCA) algorithms.
AminoAcid Sequence Analysis Amino Acid sequence with an associated feature value as an array of real vaues (e.g. Bfactor x residue).
XY Plot Analysis Data as an XY array (e.g. RMSd vs time)
Data status
Correct Data Data computed and stored correctly.
Process Running Data not yet available, process is still running.
Warning Data not available, process has failed.
Quick Help Quick info about the operation.
New Setup Operation Perform a new setup operation on the selected structure.
New Simulation/Optimization Perform a new simulation/optimization procedure.
New Analysis Perform a new analysis.
RASMOL visualization Visualize structure using Rasmol compatibles viewers (plug-in required).
JMol visualization Visualize structure using JMol.
Download Results Download object in a compressed tgz file.
LOG File View log file.
Delete Item Delete item from the workspace.