<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=Windows-1252">
<meta name="Generator" content="Microsoft Exchange Server">
<!-- converted from text --><style><!-- .EmailQuote { margin-left: 1pt; padding-left: 4pt; border-left: #800000 2px solid; } --></style>
</head>
<body>
<style>
<!--
@font-face
{font-family:"Cambria Math"}
@font-face
{font-family:Calibri}
p.x_MsoNormal, li.x_MsoNormal, div.x_MsoNormal
{margin:0in;
margin-bottom:.0001pt;
font-size:11.0pt;
font-family:"Calibri",sans-serif}
a:link, span.x_MsoHyperlink
{color:blue;
text-decoration:underline}
a:visited, span.x_MsoHyperlinkFollowed
{color:#954F72;
text-decoration:underline}
.x_MsoChpDefault
{}
@page WordSection1
{margin:1.0in 1.0in 1.0in 1.0in}
div.x_WordSection1
{}
-->
</style>
<div lang="EN-US" link="blue" vlink="#954F72">
<div class="x_WordSection1">
<p class="x_MsoNormal">Hi Elaine,</p>
<p class="x_MsoNormal"> </p>
<p class="x_MsoNormal">I think you missed the point. I am trying to take an existing surface and resample it to a grid Spacing of 1. I am not sure I see the point of making a new map.</p>
<p class="x_MsoNormal"> </p>
<p class="x_MsoNormal">Best,</p>
<p class="x_MsoNormal">Ryan Harlich</p>
<p class="x_MsoNormal"> </p>
<p class="x_MsoNormal">Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">
Mail</a> for Windows 10</p>
<p class="x_MsoNormal"> </p>
</div>
<hr tabindex="-1" style="display:inline-block; width:98%">
<div id="x_divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> Elaine Meng <meng@cgl.ucsf.edu><br>
<b>Sent:</b> Monday, July 22, 2019 11:59:06 AM<br>
<b>To:</b> Ryan Harlich <ryanharlich@hotmail.com><br>
<b>Cc:</b> chimera-users@cgl.ucsf.edu BB <chimera-users@cgl.ucsf.edu><br>
<b>Subject:</b> Re: [Chimera-users] Cannot resample to voxel size of 1</font>
<div> </div>
</div>
</div>
<font size="2"><span style="font-size:11pt;">
<div class="PlainText">Hi Ryan,<br>
You can make a new map of whatever grid spacing you want without any atoms using “vop new”:<br>
<<a href="https://nam05.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.rbvi.ucsf.edu%2Fchimera%2Fdocs%2FUsersGuide%2Fmidas%2Fvop.html%23new&data=02%7C01%7C%7C0fae3f40d7504ce6f8a908d70ed6ac3d%7C84df9e7fe9f640afb435aaaaaaaaaaaa%7C1%7C0%7C636994187477432851&sdata=pVKM4r3k6C%2Bd%2FNBnpxZOR8qwzr5Q6dUeqFXLvHkEwqE%3D&reserved=0">https://nam05.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.rbvi.ucsf.edu%2Fchimera%2Fdocs%2FUsersGuide%2Fmidas%2Fvop.html%23new&data=02%7C01%7C%7C0fae3f40d7504ce6f8a908d70ed6ac3d%7C84df9e7fe9f640afb435aaaaaaaaaaaa%7C1%7C0%7C636994187477432851&sdata=pVKM4r3k6C%2Bd%2FNBnpxZOR8qwzr5Q6dUeqFXLvHkEwqE%3D&reserved=0</a>><br>
<br>
I hope this helps,<br>
Elaine<br>
-----<br>
Elaine C. Meng, Ph.D.<br>
UCSF Chimera(X) team<br>
Department of Pharmaceutical Chemistry<br>
University of California, San Francisco<br>
<br>
> On Jul 22, 2019, at 11:33 AM, Ryan Harlich <ryanharlich@hotmail.com> wrote:<br>
> <br>
> Hi Chimera Bug Team,<br>
> <br>
> I am unable to resample surface to a grid spacing of 1 to be 1 voxel.<br>
> <br>
> Currently I do this:<br>
> 'molmap #2 6 gridSpacing 1\n' <br>
> 'vop resample #3 onGrid #2.1\n'<br>
> <br>
> But this requires me to have a pdb structure. I would like to do this without a pdb structure.<br>
> <br>
> Another alternative is I could automatically without GUI interface make a 3 atom pdb structure with python script that is the size of the surface’s boundary box. Although there is no way to get surface’s boundary box x,y,z.<br>
> <br>
> Any help would be much appreciated. Option 1 would be a much better approach.<br>
> <br>
> Best,<br>
> Ryan Harlich<br>
<br>
</div>
</span></font>
</body>
</html>