<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
<div class="moz-cite-prefix">Le 15/10/2016 à 13:05, Luc Bourhis a
écrit :<br>
</div>
<blockquote cite="mid:F6A0D191-9423-461D-B357-08C9ACE40FD8@mac.com"
type="cite">
<meta http-equiv="Content-Type" content="text/html;
charset=windows-1252">
<div>Hi Pascal,</div>
<div><br class="">
<blockquote type="cite" class="">
<div class=""><span style="font-family: LucidaSans; font-size:
12px; font-style: normal; font-variant-caps: normal;
font-weight: normal; letter-spacing: normal; orphans:
auto; text-align: start; text-indent: 0px; text-transform:
none; white-space: normal; widows: auto; word-spacing:
0px; -webkit-text-stroke-width: 0px; float: none; display:
inline !important;" class="">Also, anyone can confirm that
sgtbx is tightly embedded is cctbx and cannot be used
standalone?</span><br style="font-family: LucidaSans;
font-size: 12px; font-style: normal; font-variant-caps:
normal; font-weight: normal; letter-spacing: normal;
orphans: auto; text-align: start; text-indent: 0px;
text-transform: none; white-space: normal; widows: auto;
word-spacing: 0px; -webkit-text-stroke-width: 0px;"
class="">
</div>
</blockquote>
</div>
<br class="">
<div class="">sgtbx can be used as a pure C++ library and as such
it depends only on a few parts of cctbx (Miller indices, unit
cell, and a few miscellaneous utilities: i.e. a very small
fraction of the whole cctbx module), and on a few parts of
scitbx (arrays, integer matrix row echelon reduction), and
hashes from the Boost library. As a Python library, the
dependencies are more numerous. <br>
</div>
</blockquote>
It is still a fairly amount of dependencies.<br>
<blockquote cite="mid:F6A0D191-9423-461D-B357-08C9ACE40FD8@mac.com"
type="cite">
<div class=""><br class="">
</div>
<div class="">If you could tell us what is your ultimate goal, we
could provide more help.</div>
</blockquote>
<br>
Crystals is lacking the capability to get the Hall symbol and space
group from symmetry operators. sginfo works fine but no longer
maintained and I am wondering if a better solution exists.<br>
<br>
Another concern when looking at cctbx is it is written in C++. It
is really a hassle as I would need to write C wrapper that I could
access in Fortran.<br>
<br>
Pascal<br>
</body>
</html>