A new version of Modeller, 9.23, is now available for download! Please
see the download page at https://salilab.org/modeller/ for more information.
If you have a license key for Modeller 8 or 9, there is no need to
reregister for Modeller 9.23 - the same license key will work. (It won't
do any harm to reregister if you want to, though!)
9.23 adds support for Python 3.8 and improves handling of chain IDs, in
particular allowing for multi-character chain IDs to be read from mmCIF
files. …
[View More]See the Modeller manual for a full change log:
https://salilab.org/modeller/9.23/manual/node40.html
If you encounter bugs in Modeller 9.23, please see
https://salilab.org/modeller/9.23/manual/node10.html for information on
how to report them.
Note: you are receiving this email either because you subscribed to the
modeller_usage mailing list, or you provided this address when you
requested a Modeller license and you ticked the "notify me of new
releases" box. In the latter case, if you no longer wish to receive
announcements of new Modeller releases, simply reply to this email and
let us know.
Ben Webb, Modeller Caretaker
--
modeller-care(a)salilab.org https://salilab.org/modeller/
Modeller mail list: https://salilab.org/mailman/listinfo/modeller_usage
[View Less]
Dear all,
I have to model missing residues of the protein.
PDB ID: 2hxh
I also want to include het atoms (Ligands) in the resultant model.
I did the required changes:
1. *env.io.hetatm = True *
(Changed this in the model generation script)
2. .ali file
>P1;kinesin
structure:2hxh:1:A:1290:C::::
…
[View More]MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFSVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLIGQIVSSITASLRFDGALNVDLTEFQTNLVPYPRAHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRTIQFVDWCPTGFKVGINYEPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGVDSVEGEGEEEGEEY/MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYYNEAAGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDAKNMMAACDPRHGRYLTVAAVFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATADEQGEFEEEGEEDEA/MASMTGGQQMGRDPINMPGASVKVAVRVRPFNSREMSRDSKCIIQMSGSTTTIVNPKQPKETPKSFSFDYSYWSHTSPEDINYASQKQVYRDIGEEMLQHAFEGYNVCIFAYGQTGAGKSYTMMGKQEKDQQGIIPQLCEDLFSRINDTTNDNMSYSVEVSYMEIYCERVRDLLNPKNKGNLRVREHPLLGPYVEDLSKLAVTSYNDIQDLMDSGNKARTVAATNMNETSSRSHAVFNIIFTQKRHDAETNITTEKVSKISLVDLAGSERADSTGAKGTRLKEGANINKSLTTLGKVISALAEMDSGPNKNKKKKKTDFIPYRDSVLTWLLRENLGGNSRTAMVAALSPADINYDETLSTLRYADRAKQIRNTVSVNLELTAEEWKKKHHHHHH/*
Bcz, total residue count is 1290 and chains are A, B, C (chains are
specified using the chain breaks). Is it correct please guide me on this.
Will that read the hetatms too?
Because when I run this and generate model. It didn't include the het atoms.
Please help me on this.
Sorry for the inconvenience.
Thanking you,
Nirali
[View Less]
