Rcpi

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Some SMILEs crash the entire R

3

Some SMILEs break `extractDrugLongestAliphaticChain` ```r library(rcdk) library(Rcpi) library(magrittr) "[H]OC1=C2OC(=O)C34C5=C6C7([H])C8=C(C([H])([H])C([H])(C79C([H])([H])C5([H])C(=C([H])C([H])(C%10([H])C([H])([H])C([H])([H])C([H])([H])C%10([H])[H])C([H])([H])C4([H])C%11(OC(=O)C=%12C%11=C([H])C([H])=C([H])C%12C([H])([H])C([H])([H])C([H])([H])N([H])[H])C23C([H])([H])C6([H])[H])C([H])([H])C9([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C%13([H])N8C([H])([H])C%14([H])C%15([H])N(C%16([H])C%17(C([H])([H])C%18(C([H])([H])C%17([H])[H])C([H])([H])C([H])([H])C([H])([H])C%18([H])[H])C([H])([H])C([H])([H])C%15([H])C([H])([H])C1%16[H])C([H])([H])C%13([H])C%14([H])[H]" %>% parse.smiles() %>% .[[1]] %>% extractDrugLongestAliphaticChain() #> Error: segfault from C stack overflow ``` Then, if you don't run `extractDrugLongestAliphaticChain` but...

lz100

I want to calculate volume of molecules . Its not working. and giving NA values for all. I am trying to get molecular volume. But I am getting all values...

garimaloh

getSmiFromPubChem error

1

Hi, thank you for the package. However I encountered an issue as follows: > library("Rcpi") > id = c('7847562', '7847563') # Penicillamine > getSmiFromPubChem(id) and I got this error Error...

layhiang1995

Error on Rcpi package

1

Hi I got this error when I tied to rerun your tutorial on Rcpi drugseq

htorkey