4 |
I uploaded a structure from my computer, but as soon as I submitted the job failed with the message: “Processing failed on receptor.” What is wrong? |
Inconsistency with the PDB format. Note that homology modeling tools frequently fail to produce correct PDB format, e.g., by not placing a chain identifier. |
Make sure that your file is in PDB format and has the required spacing between columns. Documentation with respect to the PDB file format can be found at: http://www.wwpdb.org/docs.html. Also, make sure that all ATOM records the PDB file contain only standard amino or nucleic acids. |
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I entered a HETATM record to include in the calculation, but it was not recognized. What do I do? |
At this point there is no option for considering heteroatoms (HETATM entries). |
Remove the HETATM records. |
6 |
I uploaded a structure from my computer, but as soon as I submitted the job failed with the message: “Processing failed on ligand.” What is wrong? |
Inconsistency with the PDB format. Note that homology modeling tools frequently fail to produce correct PDB format, e.g., by not placing a chain identifier. |
See TROUBLESHOOTING for Step 4. |
10 |
My job keeps crashing even though my input file looks fine. |
FFT grids are too large. This is typically caused by uploading a file output by homology modeling that has extremely large regions without a template, resulting in a tail that basically floats off into space. |
Use the Structure Modification Option to remove the questionable parts of the model. |
14 |
I cannot load the docking results into my molecular viewer. |
Your viewer likely does not support multiple structures in one PDB file. |
Try using PyMol, available at www.pymol.org
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