Hello Ben thank you for your kind update:).
I did not set one of the starting and ending numbers incorrectly, please see this below pasted script and let me know if there is a way I can generate these 500-models? (maybe because I am requesting too many residues?) Thanks:) Joel
# 17 residue insertion return Selection(self.residue_range('85:A', '102:A'), self.residue_range('518:B', '535:B'), self.residue_range('951:C', '968:C'), self.residue_range('1384:D', '1401:D'), self.residue_range('1817:E', '1834:E'), self.residue_range('2250:F', '2267:F'), self.residue_range('2683:G', '2700:G'))
m = MyLoop(env, inimodel='7dwb_fill.B99990001.pdb', # initial model of the target sequence='7dwb') # code of the target
m.loop.starting_model= 1 # index of the first loop model m.loop.ending_model = 500 # index of the last loop model m.loop.md_level = refine.slow # loop refinement method; this yields # models quickly but of low quality; # use refine.slow for better models
m.make()
On Tue, Oct 4, 2022 at 10:56 PM Modeller Caretaker < modeller-care@salilab.org> wrote:
> On 9/28/22 4:55 AM, Joel Subach via modeller_usage wrote: > > for the above topic I can not seem to generate more than > 1-model, although > > my script indicates 500 models. I have tried using refine.very_fast and > > refine.slow and moreover tried with different residue amounts for my > > heptamer ranging from 84 residues (12/chain) up to 126 > > residues (18/chain). Maybe I can only encode up to > > 12 residues in total per script? > > There are no limits imposed by Modeller on the number of models you > generate or the length of loops. It just runs in a simple for loop from > LoopModel.loop.starting_model to LoopModel.loop.ending_model. If it's > only building one model, you must have set one or both of these > incorrectly. > > Ben Webb, Modeller Caretaker > -- > modeller-care@salilab.org https://salilab.org/modeller/ > Modeller mail list: https://salilab.org/mailman/listinfo/modeller_usage >