D3Pockets

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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 50 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 50 MB. Sample File 2
3. Conformational ensemble: the conformational ensemble should be generated bythe script. Sample File 3
4. PDB: The protein structure file(pdb file). Sample File 4
5. If you want to upload larger job, please contactus.

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