The default packing tolerance is set at 2.0 * angstrom. This is necessary when you have solvent with rings, otherwise you end up with these kinds of issues:
However, when you do this, you'll end up with issues where some ligands fail to solvate. Here are examples from our test set:
The best way to solvate these cases is to lower the tolerance, but then you face a case where this lowered tolerance causes problems for the ring-containing solvents...
The default packing tolerance is set at 2.0 * angstrom. This is necessary when you have solvent with rings, otherwise you end up with these kinds of issues:
However, when you do this, you'll end up with issues where some ligands fail to solvate. Here are examples from our test set:
The best way to solvate these cases is to lower the tolerance, but then you face a case where this lowered tolerance causes problems for the ring-containing solvents...