Hi all, I was trying to use SHELXD program for protein peptides (6-7 residues) for the very first time, and I got the .pdb file which should be the correct solution. However, in the .pdb file, the atoms are labeled as ABC and they are not recognized as amino acids.
My question is normally what program can I run after SHELXD, to put those atoms into residues in the correct order so that I can use refmac to refine the structure? Another question is, I have another peptide which has P1 space group, and the SHELXD won't start and it said "the cell is too small to put atoms randomly", in this case, can I still use SHELXD for the structure solving and what should I do? If not, what other programs can I use to solve small peptide structures with 6-7 residues? Thanks for your help!! Lu
