Ray, Sorry -- you also need to replace:
Peptide.cpp Peptide.hpp FileUtils.cpp FileUtils.hpp Hopefully that should work. Please let me know if it still doesn't. Henry On Wednesday, June 3, 2020 at 3:49:28 PM UTC+8, Henry Lam wrote: > > Ray, > > This is because SpectraST does not recognize this way of specifying > modification in "new" NIST files. > > If you are comfortable compiling your own TPP, try downloading > SpectraSTMspLibImporter.cpp from the latest "trunk" version of TPP, replace > and re-compile. This should fix the problem. > > Henry > > > > On Thursday, May 28, 2020 at 3:48:01 AM UTC+8, Ray wrote: >> >> 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 spctools-discuss+unsubscr...@googlegroups.com. To view this discussion on the web visit https://groups.google.com/d/msgid/spctools-discuss/8c1f3080-9e0b-4219-9411-2575b8850200%40googlegroups.com.
