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Error in H3_modeling_scores.fasc file from antibody_H3 program

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Error in H3_modeling_scores.fasc file from antibody_H3 program
#1

Hi,

In the description column there are numbers prefixing the word "model" for some of the rows after calling antibody_H3 program.  This makes the LHOC script bomb because in the ScoreFile.py module it parses the 7th character for the model string to get the number after the hyphen so that it can fill any of the 0-9 model numbers of the color_dict for the plotting.  This is not just an issue with my version of antibody_H3 because I downloaded the results from the 2021 workshop (https://meilerlab.org/rosetta-antibody-workshop-2021/) and this also occurs in their H3_modeling_scores.fasc file.  Can you advise?  For now need to remove any numbers before "model" when initializing an LHOCDecoys object if you want to plot.  For scoring analysis it's just really a hiccup to disregard I guess.

So for example here "48model-0.relaxed_0001" should read "model-0.relaxed_0001" and "5model-3.relaxed_0001" should read "model-3.relaxed_0001".

$ tail -n+2 H3_modeling_scores.fasc | awk '{print $2,$46}' OFS='\t' | head | column -t
total_score  description
-555.649     model-0.relaxed_0001
-593.614     model-0.relaxed_0002
-573.011     model-0.relaxed_0003
-575.792     model-0.relaxed_0004
-619.581     model-0.relaxed_0005
-518.167     48model-0.relaxed_0001
-589.982     5model-3.relaxed_0001
-495.965     49model-0.relaxed_0001
-602.857     4model-1.relaxed_0001

 

ScoreFile.py

class LHOCDecoys(object):

    def __init__(self, decoy_array):
        self.decoy_array = decoy_array
        self.template_no = decoy_array[name][6]

#... way down in the script
for i in si:
    decoy = self.top_x_angle_list[i]
    color = color_dict[decoy.template_no]

 

constants.py

# color codes for models (What template do they come from?)
color_dict = {}
color_dict['0'] = (141, 211, 199)
color_dict['1'] = (255, 255, 179)
color_dict['2'] = (190, 186, 218)
color_dict['3'] = (251, 128, 114)
color_dict['4'] = (128, 177, 211)
color_dict['5'] = (253, 180, 98)
color_dict['6'] = (179, 222, 105)
color_dict['7'] = (252, 205, 229)
color_dict['8'] = (187, 187, 187)
color_dict['9'] = (187, 128, 189)

 

Category: 
Post Situation: 
Sat, 2023-02-04 23:41
Brian Wiley