Re: [PyMOL] Extract relative helical character
Thank you all for your help, I am sorry for not framing my question clearly. So I want to learn what percentage of residues are helical in each peptide structure (is this possible on PyMOL?); then I can compute the difference in helical content % between both structures. Many thanks, Neena On Sun, 11 Sept 2022 at 09:15, Thomas Holder wrote: > Hi Neena, > > Not sure if I understand your question correctly, but if you are looking > for the number of helix residues or the relative helix content, you can do > this: > > count_helix = cmd.count_atoms("guide & ss H") > count_all = cmd.count_atoms("guide") > print("Number of helix residues:", count_helix) > print("Relative helix content:", count_helix / count_all) > > Cheers, > > Thomas > > > > On Sat, Sep 10, 2022 at 1:37 PM Neena Susan Eappen < > neenasusan...@gmail.com> wrote: > >> Hello PyMOL users, >> >> Could I please get some insights on this? >> >> Thank you, >> Neena >> >> On Wed, 7 Sept 2022 at 12:06, Neena Susan Eappen >> wrote: >> >>> Hello PyMOL users, >>> >>> I was wondering how to extract the total extent of helicity between two >>> peptide structures on Pymol. >>> >>> >>> [image: image.png] >>> [image: image.png] >>> Any insight would be appreciated. >>> >>> Many thanks, >>> Neena >>> >>> ___ >> PyMOL-users mailing list >> Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net >> Unsubscribe: >> https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe > > ___ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
Re: [PyMOL] Extract relative helical character
Hi Neena, Not sure if I understand your question correctly, but if you are looking for the number of helix residues or the relative helix content, you can do this: count_helix = cmd.count_atoms("guide & ss H") count_all = cmd.count_atoms("guide") print("Number of helix residues:", count_helix) print("Relative helix content:", count_helix / count_all) Cheers, Thomas On Sat, Sep 10, 2022 at 1:37 PM Neena Susan Eappen wrote: > Hello PyMOL users, > > Could I please get some insights on this? > > Thank you, > Neena > > On Wed, 7 Sept 2022 at 12:06, Neena Susan Eappen > wrote: > >> Hello PyMOL users, >> >> I was wondering how to extract the total extent of helicity between two >> peptide structures on Pymol. >> >> >> [image: image.png] >> [image: image.png] >> Any insight would be appreciated. >> >> Many thanks, >> Neena >> >> ___ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe ___ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
Re: [PyMOL] Extract relative helical character
Hello PyMOL users, Could I please get some insights on this? Thank you, Neena On Wed, 7 Sept 2022 at 12:06, Neena Susan Eappen wrote: > Hello PyMOL users, > > I was wondering how to extract the total extent of helicity between two > peptide structures on Pymol. > > > [image: image.png] > [image: image.png] > Any insight would be appreciated. > > Many thanks, > Neena > > ___ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
[PyMOL] Extract relative helical character
Hello PyMOL users, I was wondering how to extract the total extent of helicity between two peptide structures on Pymol. [image: image.png] [image: image.png] Any insight would be appreciated. Many thanks, Neena ___ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe