Re: [PyMOL] trying to build cyclic peptides with PyMOL

2008-02-16 Thread goldmosh
I need to build a cyclic peptide as the initial conformation for further simulations, not only for displaying purposes. I will try what you say and I will see. Thank you. -- Moshe Goldstein Quoting Tsjerk Wassenaar : Hi Moshe, No it isn't. PyMOL is a molecular viewer/graphics engine, not

Re: [PyMOL] trying to build cyclic peptides with PyMOL

2008-02-16 Thread goldmosh
: [PyMOL] trying to build cyclic peptides with PyMOL Hello. I am new to PyMOL. Very easily I succeeded to build a linear peptide, given its sequence. I want to build a cyclic peptide for the same sequence, connecting the C-terminus with the N-terminus. I know that the bond that is created that way

Re: [PyMOL] trying to build cyclic peptides with PyMOL

2008-02-15 Thread Kathleen Pratt
...@fh.huji.ac.il Sent: Thursday, February 14, 2008 4:18 PM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] trying to build cyclic peptides with PyMOL Hello. I am new to PyMOL. Very easily I succeeded to build a linear peptide, given its sequence. I want to build a cyclic peptide for the

Re: [PyMOL] trying to build cyclic peptides with PyMOL

2008-02-14 Thread Tsjerk Wassenaar
Hi Moshe, No it isn't. PyMOL is a molecular viewer/graphics engine, not a modeling package. However, it's not too hard to do using your favourite MD package. With the definition of a bond and some energy minimization you'd get close. If it's for displaying purposes only, that might even be enough.

[PyMOL] trying to build cyclic peptides with PyMOL

2008-02-14 Thread goldmosh
Hello. I am new to PyMOL. Very easily I succeeded to build a linear peptide, given its sequence. I want to build a cyclic peptide for the same sequence, connecting the C-terminus with the N-terminus. I know that the bond that is created that way is too long - it should be, also, some (auto