D3Pockets

Developed by Prof Weiliang Zhu's Laboratory

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Step 1. To set job title

 

Step 2. To select conformation files

MD trajectory(AMBER)   MD trajectory(GROMACS)   Conformational ensemble   PDB

 

Step 3. To upload the file

Upload files...   


 

Note:

    1 MD trajectory(AMBER) : The uploaded file should be in a compressed format containing topology file saved as AMBER format "prmtop" and trajectory saved as AMBER trajectory format "mdcrd" with size of less than 100 MB. Sample File 1

    2 MD trajectory(GROMACS) : The uploaded file should be in a compressed format containing topology file saved as format "pdb" and trajectory saved as GROMACS trajectory format "xtc" with size of less than 100 MB. Sample File 1

    2 Conformational ensemble: the conformational ensemble can be generated by the script. Sample File 2

    3 PDB: The protein structure file(pdb file). Sample File 3