Hi, I was trying to convert the NIST consensus human hcd library <https://chemdata.nist.gov/dokuwiki/doku.php?id=peptidew:lib:humanhcd20160503> (.msp format) to splib format with spectrast built from TPP 5.2.
After running the command: spectrast -cNhuman_hcd human_hcd_tryp_best.msp The resulting human_hcd.sptxt file contains significantly less spectra (273,137) than the original human_hcd_tryp_best.msp file (398,373). It seems that all peptides with modifications are discarded. For example, in human_hcd_tryp_best.msp file, there is an entry: AAAAAAVGPGAGGAGSAVPGGAGPCATVSVFPGAR/3_2(0,A,Acetyl)(24,C,CAM) But there is not such peptide in the output human_hcd.sptxt file. Did I miss some command-line arguments when converting the library? Thank you. Ray -- You received this message because you are subscribed to the Google Groups "spctools-discuss" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/spctools-discuss/1d41116d-b339-4fd5-8a7a-2ac0e4a3bdb5%40googlegroups.com.
