From 5ddf3c237afc4499b377199c641a1885f05f2a76 Mon Sep 17 00:00:00 2001 From: wenbostar Date: Fri, 29 Mar 2024 21:25:18 -0700 Subject: [PATCH] Added N-term Acetylation for spectrum prediction. --- src/main/java/PDVGUI/gui/utils/ImportPredictedDialog.java | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/src/main/java/PDVGUI/gui/utils/ImportPredictedDialog.java b/src/main/java/PDVGUI/gui/utils/ImportPredictedDialog.java index 64de503..fb94600 100644 --- a/src/main/java/PDVGUI/gui/utils/ImportPredictedDialog.java +++ b/src/main/java/PDVGUI/gui/utils/ImportPredictedDialog.java @@ -234,6 +234,10 @@ private String getModificationString(String originalMod) { if (Math.abs(ptmFactory.getPTM(originalMod).getMass() -79.966331) < 0.01) { modificationString = "[UNIMOD:21]"; } + } if (originalMod.contains("of N-term")) { + if (Math.abs(ptmFactory.getPTM(originalMod).getMass() - 42.010565) < 0.01) { + modificationString = "[UNIMOD:1]"; + } } }