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Some errors of Frag are still s mystery. At least, we need to be able to describe common scenarios:
When the first growing step cannot accept any pose. This could mean that the initial miniaturised pose does not fit well to the cavity. A possible message could be: Initial fragment could not be accepted by PELE. It looks like this fragment does not fit well to the cavity. You might have to try another protein conformation or set a higher number of PELE steps.
When the linking atoms are not defined correctly, for example some of them are missing in the structure.
The text was updated successfully, but these errors were encountered:
Description
Some errors of Frag are still s mystery. At least, we need to be able to describe common scenarios:
Initial fragment could not be accepted by PELE. It looks like this fragment does not fit well to the cavity. You might have to try another protein conformation or set a higher number of PELE steps.
The text was updated successfully, but these errors were encountered: