From 482972214ca99a581550556ec727bcb81a605c78 Mon Sep 17 00:00:00 2001 From: Jochem Smit Date: Mon, 18 Oct 2021 17:24:22 +0200 Subject: [PATCH] update template --- templates/04_SecB_batch_fit_and_checkpoint.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/templates/04_SecB_batch_fit_and_checkpoint.py b/templates/04_SecB_batch_fit_and_checkpoint.py index baf281c1..a3b78aa0 100644 --- a/templates/04_SecB_batch_fit_and_checkpoint.py +++ b/templates/04_SecB_batch_fit_and_checkpoint.py @@ -12,7 +12,7 @@ import numpy as np from matplotlib import cm -from pyhdx.fileIO import csv_to_protein, read_dynamx, dataframe_to_file +from pyhdx.fileIO import csv_to_protein, read_dynamx, dataframe_to_file, save_fitresult from pyhdx.fitting import fit_gibbs_global_batch from pyhdx.fitting_torch import CheckPoint from pyhdx.models import PeptideMasterTable, HDXMeasurement, HDXMeasurementSet @@ -71,3 +71,6 @@ #Machine readable output result.to_file(output_dir / 'Batch_fit_result.csv', fmt='csv') + +#Save full fitresult +save_fitresult(output_dir / 'SecB_tetramer_dimer_batch', result)