Subject: [modeller_usage] ALIGN_CODES(i) error, Again
From: "Zumot, Elia Nabil" <>
Date: Mon, 19 Mar 2012 19:08:43 -0400
Accept-language: en-US
Acceptlanguage: en-US
Hello Modeller people,
I realize this error has been posted repeatedly and I have tried to check for all possible solutions mentioned but I still can't do it right.
My alignment filename is 2nwx_ASCT.ali and my pdb filename is 2nwx_A.pdb so the names and letter cases match exactly.
The error I'm getting is:
ModellerError: read_al_373E> Protein specified in ALIGN_CODES(i) was not found in the alignment file; ALIGN_CODES( 2) = ASCT
The script and alignment files are below.
Thank you in advance for the help
Elia Zumot
The script I use with modeller version 9.10 on Linux is:
from modeller import *
from modeller.automodel import *
env = environ()
def do_align():
a = automodel(env, alnfile='2nwx_ASCT.ali',
knowns='2nwx_A', sequence='ASCT',
assess_methods=(assess.DOPE, assess.GA341))
a.starting_model = 1
a.ending_model = 5
a.make()
do_align()
and my alignment file (2nwx_ASCT.ali) is:
>P1;2nwx_A
structure:2nwx_A.pdb:4:A:416:A::::
EYPVLQKILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLKMLVMPIVFASLVVGAASISPAR-
LGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVGG---------QQFQPHQAPPLVHILLDIV
PTNPFGALANG----------------------------------------------------QVLPTIF
FAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQG--VHV
VGELAKVTAAVYVGLTLQILLVYFVLLKIY-GIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKE-M
GISEGIYSFTLPLGATINMDGTALYQGVCTFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIM
LAMVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAKTE*
>P2;ASCT
sequence:ASCT:4:::::::
RNAFVLLTVTAVIVGTILGFTLRPYRMSYREVKYFSFPGELLMRMLQMLVLPLIISSLVTGMAAL-DSKA
SGKMGMRAVVYYMTTTIIAVVIGIIIVIIIHPGKGTKENMH-------REGKIVRVTAADAFLDLIRNMF
PPNLVEASFKQFKTNYEKRSFKVPIQANETLVGAVINNVSEAMETLTRITEELVPVPGSVNGVNALGLVV
FSMAFGFVIGNMK--------EQGQALREFFDSLNEAIMRLVAVIMWYAPVGILFLIAGKIVEMEDMGVI
GGQLAMYTVTVIVGLLIHAVIVLPLLYFLVTRKNPWVFIGGLLQALITALGTSSSSATLPITFKGLEENN
GVDKRVTRFVLPVGATINMDGTALYEALAAIFIAQVNNFELNFGQIITISITATAASIGAAGIPQAGLVT
MVIVLTSVGLPTDD------ITLIIAVDWFLDRLRTTTNVLGDSLGAGILHHLN*
Elia Zomot, PhD
Computational and Systems Biology Department
School of Medicine, University of Pittsburgh
3089 BST3, 3501 Fifth Ave, Pittsburgh, PA 15213
Voice: 412 624 8699 - Fax: 412 648 3163