Peptide builder sample script By Ivan Tubert-Brohman, upon a suggestion by Ramón Garduño-Vázquez Builds a 3D structure for a peptide given a sequence (the structure is essentialy linear; with some minor tweaks it could solve the protein-folding problem ;-) It uses mdl molfiles. I know that for peptides PDB would make more sense, but for some reason I already had a few aminoacid structures in my drive as MDL molfiles and was too lazy to deal with PDB. Some things would have to be changed for it to generate a proper PDB file with the residue sequence numbers and such. # usage: ./pep.pl # prints an mdl molfile to stdout # curent version only supports the residues A,G,L,V FILES peptide_builder.pl - the program ala.mol - alanine with 3D coordinates gly.mol - glycine with 3D coordinates leu.mol - leucine with 3D coordinates val.mol - valine with 3D coordinates lava.mol - expected program output for ./peptide_builder LAVA