From dce80beb0eb02fb3ab5b06a90f8d8e8ccca4baa9 Mon Sep 17 00:00:00 2001 From: Eisuke Kawashima Date: Wed, 17 Aug 2022 11:10:24 +0900 Subject: [PATCH] doc: add explanations of OB_RANDOM_SEED environment variable --- doc/obabel.1 | 8 ++++++++ doc/obdistgen.1 | 7 +++++++ doc/obgen.1 | 7 +++++++ doc/obrotamer.1 | 7 +++++++ 4 files changed, 29 insertions(+) diff --git a/doc/obabel.1 b/doc/obabel.1 index 1411ccca1..e5de39c92 100644 --- a/doc/obabel.1 +++ b/doc/obabel.1 @@ -520,6 +520,14 @@ For further specific information and options, use .Fl H Ar format-type , e.g., .Fl Hcml +.Sh ENVIRONMENT +.Bl -tag -width flag +.It Ev OB_RANDOM_SEED +If set and non-null, seed this value to pseudo random number generator; +otherwise random seed is used. +This feature is effective if Open Babel is built with \fI-DOB_USE_OBRANDOMMT\fP cpreprocessor flag +(will be automatically enabled when version 4 is released). +.El .Sh EXAMPLES Standard conversion: .Dl "obabel ethanol.xyz \-Oethanol.pdb" diff --git a/doc/obdistgen.1 b/doc/obdistgen.1 index 786acf813..a55e73666 100644 --- a/doc/obdistgen.1 +++ b/doc/obdistgen.1 @@ -9,6 +9,13 @@ .Ar filename .Sh DESCRIPTION Generates SDFs with distance geometry. +.Sh ENVIRONMENT +.Bl -tag -width flag +.It Ev OB_RANDOM_SEED +Seed for pseudo random number generator; random seed is used if unset or null. +This feature is effective if Open Babel is built with \fI-DOB_USE_OBRANDOMMT\fP CPP flag +(will be automatically enabled when version 4 is released). +.El .Sh EXAMPLES .Dl "obdistgen molecule.smi > molecule.sdf" .Pp diff --git a/doc/obgen.1 b/doc/obgen.1 index 7901865a5..24850ee9e 100644 --- a/doc/obgen.1 +++ b/doc/obgen.1 @@ -24,6 +24,13 @@ will give all options including the available forcefields. .It Fl ff Ar forcefield Select the forcefield .El +.Sh ENVIRONMENT +.Bl -tag -width flag +.It Ev OB_RANDOM_SEED +Seed for pseudo random number generator; random seed is used if unset or null. +This feature is effective if Open Babel is built with \fI-DOB_USE_OBRANDOMMT\fP CPP flag +(will be automatically enabled when version 4 is released). +.El .Sh EXAMPLES .Pp View the possible options, including available forcefields: diff --git a/doc/obrotamer.1 b/doc/obrotamer.1 index adc47e4ba..e8d8c434a 100644 --- a/doc/obrotamer.1 +++ b/doc/obrotamer.1 @@ -17,6 +17,13 @@ rotamers are not conformers -- that is, does not perform geometry optimization after generating the rotamer structure. The obminimize tool can do geometry optimization using molecular mechanics. +.Sh ENVIRONMENT +.Bl -tag -width flag +.It Ev OB_RANDOM_SEED +Seed for pseudo random number generator; random seed is used if unset or null. +This feature is effective if Open Babel is built with \fI-DOB_USE_OBRANDOMMT\fP CPP flag +(will be automatically enabled when version 4 is released). +.El .Sh EXAMPLES .Dl "obrotamer baseconformer.sdf > rotamer1.sdf" .Pp