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1 #!/usr/bin/env python
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2
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3 import xml.etree.ElementTree as ET
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4
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5 tree = ET.parse('unimod.xml')
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6 ns = '{http://www.unimod.org/xmlns/schema/unimod_2}'
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7 modifications_el = tree.getroot().find('%smodifications' % ns)
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8
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9
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10 def to_label(title, site):
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11 return "%s (%s)" % (title, site)
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12
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13
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14 labels = []
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15 for mod in modifications_el.findall('%smod' % ns):
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16 for specificity in mod.findall('%sspecificity' % ns):
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17 title = mod.get('title')
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18 site = specificity.get('site')
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19 labels.append(to_label(title, site))
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20
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21 with open("openms_mods.loc", "w") as output:
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22 for mod in sorted(labels, key=str.lower):
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23 output.write("%s\n" % mod)
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