Re: [PyMOL] weird visualization of a peptide structure

2008-12-19 Thread Andrew Purkiss-Trew
Hi Annalisa, Is the original coordinate file an NMR structure? It looks to me like there are several copies of each atom, which is consistent with the pdb file resulting from an NMR refinement. These will usually have several different models of the peptide, all consistent with the NMR data. You

Re: [PyMOL] weird visualization of a peptide structure

2008-12-19 Thread annalisa bordogna
Hi Andrew, thank you for your answer: now I have a clue! I knew that the structure is a NMR model, but what I didn't understand was that some atoms were repeated (with different coordinates). Now I have pruned my structure file and I can see a much more acceptable structure. Thank you very much,

Re: [PyMOL] weird visualization of a peptide structure

2008-12-19 Thread DeLano Scientific
Annalisa, If bonds are not explicitly provided in the input file, then PyMOL infers bonding based on distance. Are the input coordinates valid? It looks like the atoms may be too close together in space... Cheers, Warren -- DeLano Scientific LLC Subscriber Support Services mailto:supp...@dels