D3R Grand Challenge 2: Dealing with 5-character PDB IDs

Dear Grand Challenge 2 Participant,

Several participants have asked how to make acceptable four-character PDB and MOL file names from the 5-character PDB IDs provided at the close of Stage 1.

To do this, just leave the "1" off the beginning of the name. For example, 1HGAF.pdb would become HGAF.pdb, leading to file names like HGAF-FXR_1.mol and HGAF-FXR_1.pdb.

We will add this information to the on-line instructions.

Best regards,
The D3R Team