Re: [PyMOL] disulbond break

2014-05-14 Thread Edward A. Berry
That would seem to violate rule #1 of macromolecular depiction: Never change the coordinates! But then I can't imagine why one would want to not draw a disulfide bond in a real protein structure, so maybe this is some kind of exercise where it is not important to adhere to the experimental results,

Re: [PyMOL] disulbond break

2014-05-14 Thread Thomas Holder
Hi Neshatul, as Takanori already pointed out, PyMOL will bond those atoms based on distance when loading the PDB file. So after unbonding and before writing the structure out as a PDB file, you should change the coordinates of the cysteine sulfur atoms. A neat way to accomplish this is to use P

Re: [PyMOL] disulbond break

2014-05-14 Thread T. Nakane
Hi, This is because PyMOL does not read SSBOND records in PDB files. Actually, PyMOL determines if a bond is present based on atomic distances and CONECT records. http://www.pymolwiki.org/index.php/Connect_mode PyMOL does not write SSBOND records when saving a PDB file. Best regards, Takanori N

[PyMOL] disulbond break

2014-05-14 Thread neshat haq
Hello every one, I am not able save the pdb file, after I broke the disulfide bond. what I did was 1-loaded the pdb file 2-selected 3-button editing mode 3-selected the two atoms bonded by disulfide bond 4-unbond pk1,pk2 Now it shows the bond break, but when I was saving the file without disulfide